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AT-rich interactive domain-containing protein 4B

Acts as a transcriptional repressor. May function in the assembly and/or enzymatic activity of the Sin3A corepressor complex or in mediating interactions between the complex and other regulatory complexes. Plays a role in the regulation of epigenetic modifications at the PWS/AS imprinting center near the SNRPN promoter, where it might function as part of a complex with RB1 and ARID4A. Involved in spermatogenesis, together with ARID4A, where it functions as a transcriptional coactivator for AR (androgen receptor) and enhances expression of genes required for sperm maturation. Regulates expression of the tight junction protein CLDN3 in the testis, which is important for integrity of the blood-testis barrier. Plays a role in myeloid homeostasis where it regulates the histone methylation state of bone marrow cells and expression of various genes involved in hematopoiesis. May function as a leukemia suppressor.

AlphaFold DB , UniProt , Accession Z4YMH1, Species MOUSE (Mus musculus, Mouse), Gene Arid4b, Length 540 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.1Very low59.2Low244 Ų244113.6 Ų113.6100%1.20260%0.603SS**  0128.10-70.6137.4172.500107A3M1-A3 PolarHBondContact O-N 2.64Å
2K27.6Very low61.8Low205 Ų205111.3 Ų111.389%0.89160%0.596SS**PPolyproline II helixtrans-72.6119.7165.8-76.4-179.7175.5-178.20105.8L4K2-L4 PolarHBondContact O-N 3.04Å
3A39.2Very low63.7Low98 Ų98105.8 Ų105.881%0.8158%0.582SS**PPolyproline II helixtrans-60.5119.1157.100000105.4M1M1-A3 PolarHBondContact O-N 2.64Å
4L44.8Very low65.6Low144 Ų144100.5 Ų100.575%0.75455%0.554SS**PPolyproline II helixtrans-60.8141.8160.4-75.8163.9000106.2K2 E6K2-L4 PolarHBondContact O-N 3.04Å; L4-E6 PolarHBondContact O-N 3.33Å
5D53Low67.2Low163 Ų16398.2 Ų98.287%0.87254%0.541SS*.  trans-72.575.1-169.1-161.924.2000109.5P7D5-P7 WeakPolarHBondContact O-CD 3.46Å
6E61.8Low68.7Low120 Ų12092.1 Ų92.156%0.56151%0.507SS*.  trans-65.1116.3179-167.6-172.4162.300107.6L4 R103L4-E6 PolarHBondContact O-N 3.33Å; E6-R103 IonicContact OE1-CZ 2.72Å; E6-R103 IonicContact OE1-NE 3.15Å; E6-R103 IonicContact OE1-NH2 2.83Å; E6-R103 PolarHBondContact OE1-NH2 3.42Å
7P68.5Low69.9Low54 Ų5488.2 Ų88.235%0.35149%0.488SS..  trans-65.1145.3-170.427.3-35.7000110.1D5 Y9 L10D5-P7 WeakPolarHBondContact O-CD 3.46Å; P7-Y9 PolarHBondContact O-N 3.16Å; P7-L10 HydrophobicContact CG-CD2 4.1Å
8P68.1Low70.9Confident53 Ų5383.3 Ų83.334%0.34446%0.461SS..SBendtrans-63.8-12.2-174.225.9-35.3000113.9L83 D85P8-L83 HydrophobicContact CB-CD1 4.26Å; P8-D85 WeakPolarHBondContact O-CB 3.45Å
9Y80.3Confident71.7Confident82 Ų8284.5 Ų84.532%0.32246%0.461SS..SBendtrans-155.7152.8168.560.1-88.6000108.3P7 T11 R34 V36 Y89P7-Y9 PolarHBondContact O-N 3.16Å; Y9-T11 HydrophobicContact CE2-CG2 4.43Å; Y9-R34 HydrophobicContact CD1-CG 4.21Å; Y9-R34 HydrophobicContact CD2-CG 4.24Å; Y9-R34 HydrophobicContact CG-CG 4.02Å; Y9-V36 HydrophobicContact CD1-CG2 4.4Å; Y9-Y89 WeakPolarHBondContact CA-OH 3.47Å; Y9-Y89 WeakPolarHBondContact CB-OH 3.35Å
10L85.3Confident71.8Confident4 Ų484 Ų842%0.02145%0.452CS..PPolyproline II helixtrans-81.9153.9171.7-60.1-175.2000112.4P7 V16 I29 Y89 L108P7-L10 HydrophobicContact CG-CD2 4.1Å; L10-V16 HydrophobicContact CD1-CG1 3.66Å; L10-I29 HydrophobicContact CB-CD1 3.48Å; L10-I29 VanDerWaalsContact CB-CD1 3.48Å; L10-I29 HydrophobicContact CD1-CD1 3.68Å; L10-I29 HydrophobicContact CG-CD1 4.25Å; L10-Y89 HydrophobicContact CB-CD1 4.48Å; L10-Y89 HydrophobicContact CB-CE1 3.8Å; L10-Y89 PolarHBondContact N-OH 2.93Å; L10-Y89 VanDerWaalsContact O-CE1 3.32Å; L10-Y89 WeakPolarHBondContact O-CE1 3.24Å; L10-L108 HydrophobicContact CD2-CD2 3.66Å; L10-L108 HydrophobicContact CD2-CG 4.25Å
11T85.6Confident72Confident83 Ų8390.4 Ų90.451%0.50947%0.47SS..PPolyproline II helixtrans-98.9156.6177.447.90000112.2Y9 T14Y9-T11 HydrophobicContact CE2-CG2 4.43Å; T11-T14 WeakPolarHBondContact O-CB 3.48Å; T11-T14 PolarHBondContact O-N 2.79Å; T11-T14 PolarHBondContact O-OG1 3.04Å; T11-T14 PolarHBondContact OG1-OG1 2.91Å; T11-T14 VanDerWaalsContact OG1-OG1 3.1Å
12V90.5Very high73.7Confident86 Ų8681.5 Ų81.552%0.52144%0.441SS..THydrogen-bonded Turntrans-60.1145.4170.6176.50000110.1T14 I29 K30 A32V12-T14 VanDerWaalsContact C-N 3.3Å; V12-T14 PolarHBondContact O-N 3.05Å; V12-I29 HydrophobicContact CG2-CG2 4.37Å; V12-K30 VanDerWaalsContact CG1-O 3.26Å; V12-K30 WeakPolarHBondContact CG1-O 3.33Å; V12-A32 HydrophobicContact CG2-CB 3.89Å
13G86.8Confident76.2Confident40 Ų4074.4 Ų74.441%0.41242%0.421SS..THydrogen-bonded Turntrans87.5-17.1-176.300000115K28 I29G13-K28 PolarHBondContact O-NZ 2.98Å; G13-I29 PolarHBondContact N-O 3.05Å
14T89.6Confident78.3Confident31 Ų3174.5 Ų74.519%0.1940%0.403CS..  trans-62.6132.8179.4-49.40000111.7T11 V12 V16 I29 L108T11-T14 WeakPolarHBondContact O-CB 3.48Å; T11-T14 PolarHBondContact O-N 2.79Å; T11-T14 PolarHBondContact O-OG1 3.04Å; T11-T14 PolarHBondContact OG1-OG1 2.91Å; T11-T14 VanDerWaalsContact OG1-OG1 3.1Å; V12-T14 VanDerWaalsContact C-N 3.3Å; V12-T14 PolarHBondContact O-N 3.05Å; T14-V16 HydrophobicContact CG2-CG1 4.23Å; T14-I29 PolarHBondContact O-N 3.47Å; T14-L108 HydrophobicContact CG2-CD2 3.8Å
15D90.3Very high80.3Confident66 Ų6669.8 Ų69.835%0.35338%0.382SS..EExtended strand (participates in β ladder)trans-80.2130.6170.5-69.2-56.6000111.2K28 K109D15-K28 WeakPolarHBondContact OD1-CE 3.49Å; D15-K28 IonicContact OD1-NZ 3.24Å; D15-K28 PolarHBondContact OD1-NZ 3.38Å; D15-K28 IonicContact OD2-NZ 2.67Å; D15-K28 PolarHBondContact OD2-NZ 3.21Å; D15-K109 HydrophobicContact CB-CB 3.93Å; D15-K109 HydrophobicContact CB-CD 3.67Å; D15-K109 HydrophobicContact CB-CG 4.43Å; D15-K109 WeakPolarHBondContact O-CB 3.4Å; D15-K109 PolarHBondContact O-N 3.17Å
16V90.5Very high82.1Confident0 Ų067.1 Ų67.10%036%0.364CS..EExtended strand (participates in β ladder)trans-138.2156.3-172.2-70.70000111.2L10 T14 A27 I29 V91 L106 C107L10-V16 HydrophobicContact CD1-CG1 3.66Å; T14-V16 HydrophobicContact CG2-CG1 4.23Å; V16-A27 HydrophobicContact CG2-CB 4.33Å; V16-A27 VanDerWaalsContact CG2-O 3.26Å; V16-A27 WeakPolarHBondContact CG2-O 3.47Å; V16-A27 PolarHBondContact N-O 2.98Å; V16-A27 PolarHBondContact O-N 3.25Å; V16-I29 HydrophobicContact CG1-CD1 4.02Å; V16-I29 HydrophobicContact CG1-CG1 4.22Å; V16-I29 HydrophobicContact CG2-CG1 4.01Å; V16-V91 HydrophobicContact CG2-CG1 4.02Å; V16-L106 HydrophobicContact CG2-CD2 4.06Å; V16-C107 CarbonylContact C-O 2.98Å; V16-C107 WeakPolarHBondContact CA-O 3.5Å; V16-C107 WeakPolarHBondContact CB-O 3.48Å
17S89.2Confident83.5Confident26 Ų2661.7 Ų61.718%0.18234%0.34CS..EExtended strand (participates in β ladder)trans-100.7116166.4-58.80000108.7C25 C107S17-C25 CarbonylContact C-O 3.52Å; S17-C25 WeakPolarHBondContact CA-O 3.39Å; S17-C107 PolarHBondContact N-O 3.1Å; S17-C107 PolarHBondContact O-N 3.05Å
18A88.1Confident84.7Confident0 Ų063.6 Ų63.60%034%0.343CS..EExtended strand (participates in β ladder)trans-101.5126.9-174.400000111.2Y20 F24 C25 A27 V91 F93 L101 S105 L106A18-Y20 PolarHBondContact O-N 2.97Å; A18-F24 WeakPolarHBondContact O-CA 3.28Å; A18-C25 PolarHBondContact N-O 3.03Å; A18-C25 PolarHBondContact O-N 3.07Å; A18-A27 HydrophobicContact CB-CB 4.06Å; A18-V91 HydrophobicContact CB-CG2 4.2Å; A18-F93 HydrophobicContact CB-CE1 3.62Å; A18-F93 HydrophobicContact CB-CZ 3.86Å; A18-L101 HydrophobicContact CB-CD1 3.71Å; A18-S105 WeakPolarHBondContact CA-O 3.3Å; A18-L106 HydrophobicContact CB-CD2 3.71Å
19K85.3Confident85.9Confident107 Ų10761.1 Ų61.147%0.46533%0.327SS..EExtended strand (participates in β ladder)trans-77.8110-179.8-167.4173.5-175.7169.40110.9A23 F24 S105K19-A23 CarbonylContact C-O 3.49Å; K19-A23 WeakPolarHBondContact CA-O 3.27Å; K19-F24 HydrophobicContact CB-CD1 3.92Å; K19-F24 HydrophobicContact CB-CE1 3.66Å; K19-F24 HydrophobicContact CB-CZ 4.07Å; K19-F24 HydrophobicContact CD-CE1 4.33Å; K19-F24 HydrophobicContact CD-CE2 4.2Å; K19-F24 HydrophobicContact CD-CZ 3.85Å; K19-F24 HydrophobicContact CG-CD1 4.47Å; K19-F24 HydrophobicContact CG-CE1 4.16Å; K19-F24 HydrophobicContact CG-CE2 4.28Å; K19-F24 HydrophobicContact CG-CZ 4.06Å; K19-S105 PolarHBondContact N-O 2.91Å
20Y75.1Confident86.4Confident73 Ų7362.2 Ų62.229%0.28633%0.333SS..EExtended strand (participates in β ladder)trans-128124.6-179-170.9-103000110.8A18 G22 A23 K99A18-Y20 PolarHBondContact O-N 2.97Å; Y20-G22 PolarHBondContact O-N 3.32Å; Y20-A23 PolarHBondContact N-O 3.35Å; Y20-A23 PolarHBondContact O-N 3.16Å; Y20-K99 HydrophobicContact CD2-CD 3.93Å; Y20-K99 HydrophobicContact CE2-CD 3.73Å; Y20-K99 VanDerWaalsContact CE2-NZ 3.32Å
21R75Confident86.5Confident219 Ų21965.6 Ų65.683%0.82635%0.354SS*.THydrogen-bonded Turntrans51.120178.9-56.4179.391.6114.9-2116.2
22G74.1Confident86.7Confident57 Ų5763.1 Ų63.159%0.58834%0.342SS*.THydrogen-bonded Turntrans107.4-20.4-179.800000114.3Y20Y20-G22 PolarHBondContact O-N 3.32Å
23A79.3Confident86.5Confident57 Ų5766.5 Ų66.547%0.47135%0.349SS..EExtended strand (participates in β ladder)trans-90.7169.3171.200000111.4K19 Y20K19-A23 CarbonylContact C-O 3.49Å; K19-A23 WeakPolarHBondContact CA-O 3.27Å; Y20-A23 PolarHBondContact N-O 3.35Å; Y20-A23 PolarHBondContact O-N 3.16Å
24F83.4Confident86.4Confident100 Ų10070.3 Ų70.344%0.43935%0.351SS..EExtended strand (participates in β ladder)trans-113.1123.5166.1-72.6-95.3000108.5A18 K19A18-F24 WeakPolarHBondContact O-CA 3.28Å; K19-F24 HydrophobicContact CB-CD1 3.92Å; K19-F24 HydrophobicContact CB-CE1 3.66Å; K19-F24 HydrophobicContact CB-CZ 4.07Å; K19-F24 HydrophobicContact CD-CE1 4.33Å; K19-F24 HydrophobicContact CD-CE2 4.2Å; K19-F24 HydrophobicContact CD-CZ 3.85Å; K19-F24 HydrophobicContact CG-CD1 4.47Å; K19-F24 HydrophobicContact CG-CE1 4.16Å; K19-F24 HydrophobicContact CG-CE2 4.28Å; K19-F24 HydrophobicContact CG-CZ 4.06Å
25C87.6Confident86.1Confident45 Ų4570.9 Ų70.930%0.30435%0.353SS..EExtended strand (participates in β ladder)trans-106.8153.9174.5-590000109.2S17 A18 F93S17-C25 CarbonylContact C-O 3.52Å; S17-C25 WeakPolarHBondContact CA-O 3.39Å; A18-C25 PolarHBondContact N-O 3.03Å; A18-C25 PolarHBondContact O-N 3.07Å; C25-F93 HydrophobicContact CB-CD1 3.75Å; C25-F93 HydrophobicContact CB-CE1 3.8Å
26E89.8Confident85.9Confident106 Ų10667.8 Ų67.850%0.49534%0.336SS..EExtended strand (participates in β ladder)trans-74.1138.5172.4-57-161147.300109.8K109E26-K109 VanDerWaalsContact CD-CE 3.48Å; E26-K109 WeakPolarHBondContact OE1-CE 3.39Å; E26-K109 IonicContact OE1-NZ 2.65Å; E26-K109 PolarHBondContact OE1-NZ 2.93Å; E26-K109 WeakPolarHBondContact OE2-CE 3.45Å; E26-K109 IonicContact OE2-NZ 2.65Å; E26-K109 PolarHBondContact OE2-NZ 2.93Å
27A91.8Very high85.8Confident7 Ų772.6 Ų72.66%0.05836%0.357CS..EExtended strand (participates in β ladder)trans-150.1159178.300000110.7V16 A18 V91 V92 F93V16-A27 HydrophobicContact CG2-CB 4.33Å; V16-A27 VanDerWaalsContact CG2-O 3.26Å; V16-A27 WeakPolarHBondContact CG2-O 3.47Å; V16-A27 PolarHBondContact N-O 2.98Å; V16-A27 PolarHBondContact O-N 3.25Å; A18-A27 HydrophobicContact CB-CB 4.06Å; A27-V91 HydrophobicContact CB-CB 3.83Å; A27-V91 HydrophobicContact CB-CG2 3.81Å; A27-V92 CarbonylContact C-O 3.52Å; A27-V92 WeakPolarHBondContact CA-O 3.45Å; A27-V92 WeakPolarHBondContact CB-O 3.3Å; A27-F93 HydrophobicContact CB-CD1 3.79Å; A27-F93 HydrophobicContact CB-CE1 4.03Å; A27-F93 HydrophobicContact CB-CG 4.31Å
28K92.6Very high85.9Confident94 Ų9471.4 Ų71.441%0.40935%0.349SS..EExtended strand (participates in β ladder)trans-115.9133.8175.1-175.5178.6-68.4-58.90110G13 D15 K30 V91 V92G13-K28 PolarHBondContact O-NZ 2.98Å; D15-K28 WeakPolarHBondContact OD1-CE 3.49Å; D15-K28 IonicContact OD1-NZ 3.24Å; D15-K28 PolarHBondContact OD1-NZ 3.38Å; D15-K28 IonicContact OD2-NZ 2.67Å; D15-K28 PolarHBondContact OD2-NZ 3.21Å; K28-K30 PolarHBondContact O-N 3.01Å; K28-K30 VanDerWaalsContact O-N 3.16Å; K28-V91 CarbonylContact O-C 3.45Å; K28-V91 VanDerWaalsContact O-CA 3.28Å; K28-V91 WeakPolarHBondContact O-CA 3.49Å; K28-V92 PolarHBondContact N-O 3.27Å; K28-V92 PolarHBondContact O-N 2.84Å
29I93.1Very high86.1Confident1 Ų174.8 Ų74.81%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-67.9113.2175.7-60.8176.5000109.4L10 V12 G13 T14 V16 A32 Y89 V91L10-I29 HydrophobicContact CB-CD1 3.48Å; L10-I29 VanDerWaalsContact CB-CD1 3.48Å; L10-I29 HydrophobicContact CD1-CD1 3.68Å; L10-I29 HydrophobicContact CG-CD1 4.25Å; V12-I29 HydrophobicContact CG2-CG2 4.37Å; G13-I29 PolarHBondContact N-O 3.05Å; T14-I29 PolarHBondContact O-N 3.47Å; V16-I29 HydrophobicContact CG1-CD1 4.02Å; V16-I29 HydrophobicContact CG1-CG1 4.22Å; V16-I29 HydrophobicContact CG2-CG1 4.01Å; I29-A32 HydrophobicContact CG2-CB 4.31Å; I29-Y89 HydrophobicContact CD1-CD1 3.8Å; I29-Y89 HydrophobicContact CD1-CE1 4.26Å; I29-Y89 HydrophobicContact CD1-CG 4.35Å; I29-Y89 HydrophobicContact CG1-CD1 4.44Å; I29-Y89 HydrophobicContact CG2-CD1 3.96Å; I29-V91 HydrophobicContact CG1-CG1 3.92Å
30K91.9Very high86.4Confident105 Ų10569.7 Ų69.746%0.45734%0.341SS..EExtended strand (participates in β ladder)trans-87.6-35173.2174.8-176.3175-172.70112.1V12 K28 T90 V92 E98V12-K30 VanDerWaalsContact CG1-O 3.26Å; V12-K30 WeakPolarHBondContact CG1-O 3.33Å; K28-K30 PolarHBondContact O-N 3.01Å; K28-K30 VanDerWaalsContact O-N 3.16Å; K30-T90 PolarHBondContact N-O 2.74Å; K30-V92 HydrophobicContact CB-CG2 3.62Å; K30-V92 HydrophobicContact CD-CG2 3.66Å; K30-V92 HydrophobicContact CG-CG2 4.21Å; K30-E98 VanDerWaalsContact CD-OE1 3.3Å; K30-E98 WeakPolarHBondContact CD-OE1 3.47Å; K30-E98 WeakPolarHBondContact CD-OE2 3.42Å; K30-E98 WeakPolarHBondContact CE-OE1 3.24Å; K30-E98 IonicContact NZ-OE1 2.59Å; K30-E98 PolarHBondContact NZ-OE1 2.89Å; K30-E98 IonicContact NZ-OE2 3.23Å; K30-E98 PolarHBondContact NZ-OE2 2.58Å
31T87.7Confident87.2Confident74 Ų7468 Ų6845%0.45434%0.339SS..EExtended strand (participates in β ladder)trans-146.9140.8179.5-42.80000110.5Y89 T90T31-Y89 CarbonylContact O-C 3.5Å; T31-Y89 WeakPolarHBondContact O-CA 3.3Å; T31-T90 PolarHBondContact N-O 2.9Å; T31-T90 VanDerWaalsContact N-O 3.11Å; T31-T90 PolarHBondContact O-N 3.08Å
32A88.4Confident88Confident31 Ų3157.7 Ų57.726%0.25630%0.3SS..EExtended strand (participates in β ladder)trans-127.5107.5177.900000109.8V12 I29 R34 Y89V12-A32 HydrophobicContact CG2-CB 3.89Å; I29-A32 HydrophobicContact CG2-CB 4.31Å; A32-R34 PolarHBondContact O-N 2.84Å; A32-Y89 HydrophobicContact CB-CD1 3.63Å; A32-Y89 HydrophobicContact CB-CE1 3.57Å
33K87.7Confident88.6Confident157 Ų15761.6 Ų61.668%0.68330%0.297SS*.EExtended strand (participates in β ladder)trans-83.991.1167.3-172.9167.2-175.1167.20107.5L35 S87 W88K33-L35 PolarHBondContact O-N 3.37Å; K33-S87 WeakPolarHBondContact O-CA 3Å; K33-S87 WeakPolarHBondContact O-CB 3.11Å; K33-W88 HydrophobicContact CB-CB 4.38Å; K33-W88 PolarHBondContact N-O 3.05Å; K33-W88 PolarHBondContact O-N 2.92Å
34R83.3Confident88.7Confident121 Ų12165.1 Ų65.146%0.45730%0.303SS..  trans-58.4130.4179.4-166.7-17679.5-146.1-2109.6Y9 A32 V36 D53 S87Y9-R34 HydrophobicContact CD1-CG 4.21Å; Y9-R34 HydrophobicContact CD2-CG 4.24Å; Y9-R34 HydrophobicContact CG-CG 4.02Å; A32-R34 PolarHBondContact O-N 2.84Å; R34-V36 HydrophobicContact CG-CG2 4.25Å; R34-D53 IonicContact CZ-OD2 3.92Å; R34-D53 VanDerWaalsContact CZ-OD2 3.27Å; R34-D53 IonicContact NE-OD2 3.87Å; R34-D53 PolarHBondContact NE-OD2 2.81Å; R34-D53 IonicContact NH2-OD2 2.67Å; R34-D53 PolarHBondContact NH2-OD2 2.85Å; R34-S87 WeakPolarHBondContact CA-OG 3.27Å
35L83.4Confident88.6Confident43 Ų4365.3 Ų65.323%0.22531%0.309CS..  trans-154.5105.1171.4-167.4152.5000108.4K33 K37 A86 S87K33-L35 PolarHBondContact O-N 3.37Å; L35-K37 HydrophobicContact CD2-CG 4.23Å; L35-A86 HydrophobicContact CD2-CB 3.71Å; L35-A86 CarbonylContact O-C 3.51Å; L35-A86 VanDerWaalsContact O-CA 3.3Å; L35-A86 WeakPolarHBondContact O-CA 3.47Å; L35-A86 PolarHBondContact O-N 2.95Å; L35-S87 PolarHBondContact N-OG 2.92Å; L35-S87 PolarHBondContact O-N 3.16Å; L35-S87 PolarHBondContact O-OG 3.39Å
36V86.4Confident88.4Confident1 Ų167.6 Ų67.61%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-107.1121.7-178.6-171.90000109Y9 R34 V38 D53 L83Y9-V36 HydrophobicContact CD1-CG2 4.4Å; R34-V36 HydrophobicContact CG-CG2 4.25Å; V36-V38 HydrophobicContact CG1-CG2 4.11Å; V36-D53 HydrophobicContact CB-CB 4.22Å; V36-D53 PolarHBondContact N-OD1 2.83Å; V36-D53 PolarHBondContact O-N 2.85Å; V36-L83 HydrophobicContact CG1-CB 4.29Å; V36-L83 HydrophobicContact CG1-CD2 4.03Å
37K89.1Confident88.3Confident101 Ų10164.9 Ų64.944%0.43932%0.318SS..EExtended strand (participates in β ladder)trans-85.7120.2170.9-70.6-170.5175-165.30109.3L35 T84 A86L35-K37 HydrophobicContact CD2-CG 4.23Å; K37-T84 PolarHBondContact N-O 3.12Å; K37-T84 PolarHBondContact O-N 2.94Å; K37-A86 HydrophobicContact CD-CB 4.37Å; K37-A86 HydrophobicContact CG-CB 4.13Å
38V90.7Very high88.1Confident0 Ų068.5 Ų68.50%034%0.34CS..EExtended strand (participates in β ladder)trans-113.8119.5-173.8-169.60000109.1V36 V40 E50 V51 I56 L60 I80 L83V36-V38 HydrophobicContact CG1-CG2 4.11Å; V38-V40 HydrophobicContact CG1-CG1 3.78Å; V38-E50 WeakPolarHBondContact O-CA 3.22Å; V38-V51 HydrophobicContact CB-CG2 4.48Å; V38-V51 PolarHBondContact N-O 3.11Å; V38-V51 PolarHBondContact O-N 2.88Å; V38-I56 HydrophobicContact CB-CD1 3.29Å; V38-I56 HydrophobicContact CG1-CD1 3.56Å; V38-I56 HydrophobicContact CG2-CD1 3.4Å; V38-I56 VanDerWaalsContact CG2-CD1 3.4Å; V38-L60 HydrophobicContact CG2-CD2 4.13Å; V38-I80 HydrophobicContact CG1-CB 4.28Å; V38-I80 HydrophobicContact CG1-CD1 3.99Å; V38-I80 HydrophobicContact CG1-CG1 3.81Å; V38-I80 HydrophobicContact CG1-CG2 3.7Å; V38-L83 HydrophobicContact CB-CD2 4.33Å; V38-L83 HydrophobicContact CG1-CD2 3.87Å; V38-L83 HydrophobicContact CG2-CD2 3.76Å
39K91.8Very high88Confident72 Ų7267 Ų6731%0.31334%0.338SS..EExtended strand (participates in β ladder)trans-89.1114.9172.6-167.9175.5-163.2118.60109.2V49 E50 N81 K82K39-V49 WeakPolarHBondContact CA-O 3.34Å; K39-E50 HydrophobicContact CB-CG 3.86Å; K39-E50 HydrophobicContact CD-CG 4.3Å; K39-E50 HydrophobicContact CG-CG 3.76Å; K39-E50 IonicContact NZ-OE1 2.63Å; K39-E50 PolarHBondContact NZ-OE1 2.76Å; K39-N81 PolarHBondContact O-N 2.93Å; K39-K82 HydrophobicContact CB-CB 4.09Å; K39-K82 PolarHBondContact N-O 3.18Å; K39-K82 PolarHBondContact O-N 3.47Å
40V92.6Very high87.9Confident0 Ų072.4 Ų72.40%036%0.363CS..EExtended strand (participates in β ladder)trans-114.3153.5-176.8-61.70000111.3V38 F42 T48 V49 V51 I56 V66 V68 A78 V79 I80V38-V40 HydrophobicContact CG1-CG1 3.78Å; V40-F42 HydrophobicContact CG2-CE2 4.36Å; V40-F42 HydrophobicContact CG2-CZ 4.49Å; V40-T48 CarbonylContact O-C 3.59Å; V40-T48 WeakPolarHBondContact O-CA 3.49Å; V40-V49 HydrophobicContact CG2-CB 4.49Å; V40-V49 WeakPolarHBondContact CG2-O 3.41Å; V40-V49 PolarHBondContact N-O 3.3Å; V40-V49 PolarHBondContact O-N 3.15Å; V40-V51 HydrophobicContact CG2-CG2 4.46Å; V40-I56 HydrophobicContact CG1-CD1 4.45Å; V40-V66 HydrophobicContact CG1-CG2 4.5Å; V40-V68 HydrophobicContact CB-CG2 4.32Å; V40-V68 HydrophobicContact CG1-CG2 4.01Å; V40-V68 HydrophobicContact CG2-CG1 4.35Å; V40-V68 HydrophobicContact CG2-CG2 4.11Å; V40-A78 HydrophobicContact CB-CB 3.8Å; V40-A78 HydrophobicContact CG2-CB 4.15Å; V40-V79 CarbonylContact C-O 3.55Å; V40-V79 VanDerWaalsContact CA-O 3.28Å; V40-V79 WeakPolarHBondContact CA-O 3.33Å; V40-I80 HydrophobicContact CG1-CG1 4.29Å
41T91.9Very high87.9Confident37 Ų3768.4 Ų68.423%0.22735%0.347CS..EExtended strand (participates in β ladder)trans-116.1121.7165.1-62.60000109.3S47 T48 A78 V79 N81T41-S47 CarbonylContact C-O 3.49Å; T41-S47 WeakPolarHBondContact CA-O 3.49Å; T41-T48 HydrophobicContact CG2-CG2 4.31Å; T41-T48 WeakPolarHBondContact OG1-CG2 3.32Å; T41-A78 CarbonylContact O-C 3.56Å; T41-A78 WeakPolarHBondContact O-CA 3.35Å; T41-A78 WeakPolarHBondContact O-CB 3.5Å; T41-V79 PolarHBondContact N-O 3.22Å; T41-V79 PolarHBondContact O-N 3.17Å; T41-N81 PolarHBondContact N-ND2 3.21Å; T41-N81 PolarHBondContact OG1-ND2 3.22Å
42F91.3Very high87.9Confident3 Ų368.7 Ų68.71%0.01334%0.344CS..EExtended strand (participates in β ladder)trans-68.3134.3176.4-70-79.4000111.4V40 H44 S46 S47 V49 V68 N70 Q76 A78V40-F42 HydrophobicContact CG2-CE2 4.36Å; V40-F42 HydrophobicContact CG2-CZ 4.49Å; F42-H44 VanDerWaalsContact C-N 3.33Å; F42-H44 PolarHBondContact O-N 3.33Å; F42-S46 VanDerWaalsContact O-CA 3.31Å; F42-S46 WeakPolarHBondContact O-CA 3.4Å; F42-S46 PolarHBondContact O-N 2.88Å; F42-S47 WeakPolarHBondContact CD2-OG 3.04Å; F42-S47 PolarHBondContact N-O 2.79Å; F42-V49 HydrophobicContact CD2-CG2 4.37Å; F42-V49 HydrophobicContact CE2-CB 4.03Å; F42-V49 HydrophobicContact CE2-CG2 3.75Å; F42-V68 HydrophobicContact CE1-CB 3.82Å; F42-V68 HydrophobicContact CE1-CG1 4.3Å; F42-V68 HydrophobicContact CZ-CB 3.98Å; F42-V68 HydrophobicContact CZ-CG1 3.94Å; F42-N70 WeakPolarHBondContact CZ-OD1 3.14Å; F42-Q76 HydrophobicContact CD1-CB 3.87Å; F42-Q76 HydrophobicContact CD1-CG 3.89Å; F42-Q76 HydrophobicContact CE1-CB 3.87Å; F42-Q76 HydrophobicContact CE1-CG 4.39Å; F42-A78 HydrophobicContact CD1-CB 3.79Å; F42-A78 HydrophobicContact CE1-CB 4.11Å; F42-A78 HydrophobicContact CG-CB 4.23Å
43R87.4Confident87.8Confident139 Ų13967.7 Ų67.753%0.52533%0.334SS..THydrogen-bonded Turntrans-70.6-28.3-174.7-67.1-175.568.9-162.22.6113.6E77 V79R43-E77 WeakPolarHBondContact CD-OE2 3.36Å; R43-E77 HydrophobicContact CG-CB 4.39Å; R43-E77 IonicContact CZ-OE2 3.71Å; R43-E77 PolarHBondContact N-O 3.15Å; R43-E77 IonicContact NE-OE2 2.61Å; R43-E77 IonicContact NH1-OE2 2.71Å; R43-E77 PolarHBondContact NH1-OE2 2.8Å; R43-V79 HydrophobicContact CG-CG2 4.1Å
44H81.3Confident87.8Confident131 Ų13166 Ų6661%0.60633%0.332SS*.THydrogen-bonded Turntrans-86.4-46.5-177-62.5-75.5000112.1F42F42-H44 VanDerWaalsContact C-N 3.33Å; F42-H44 PolarHBondContact O-N 3.33Å
45D80.4Confident88.1Confident104 Ų10464 Ų6456%0.55633%0.328SS*.THydrogen-bonded Turntrans-101.8-5.5-170.3-54.4-49.9000113.5S47 Q76D45-S47 PolarHBondContact O-N 2.82Å; D45-Q76 PolarHBondContact OD2-NE2 2.96Å
46S83.9Confident88.4Confident93 Ų9362.8 Ų62.865%0.6532%0.322SS*.  trans54.99.4-173.9-56.90000115.2F42F42-S46 VanDerWaalsContact O-CA 3.31Å; F42-S46 WeakPolarHBondContact O-CA 3.4Å; F42-S46 PolarHBondContact O-N 2.88Å
47S86.8Confident88.5Confident49 Ų4967.8 Ų67.834%0.34334%0.343SS..  trans-70.9143.7176.954.20000110.5T41 F42 D45T41-S47 CarbonylContact C-O 3.49Å; T41-S47 WeakPolarHBondContact CA-O 3.49Å; F42-S47 WeakPolarHBondContact CD2-OG 3.04Å; F42-S47 PolarHBondContact N-O 2.79Å; D45-S47 PolarHBondContact O-N 2.82Å
48T89.6Confident88.3Confident83 Ų8365.2 Ų65.251%0.50935%0.346SS..EExtended strand (participates in β ladder)trans-112.5125.2178.772.30000110.6V40 T41V40-T48 CarbonylContact O-C 3.59Å; V40-T48 WeakPolarHBondContact O-CA 3.49Å; T41-T48 HydrophobicContact CG2-CG2 4.31Å; T41-T48 WeakPolarHBondContact OG1-CG2 3.32Å
49V90.2Very high88.1Confident62 Ų6268.9 Ų68.938%0.37637%0.369SS..EExtended strand (participates in β ladder)trans-129.4149.5-178.1-177.80000109.5K39 V40 F42 V51K39-V49 WeakPolarHBondContact CA-O 3.34Å; V40-V49 HydrophobicContact CG2-CB 4.49Å; V40-V49 WeakPolarHBondContact CG2-O 3.41Å; V40-V49 PolarHBondContact N-O 3.3Å; V40-V49 PolarHBondContact O-N 3.15Å; F42-V49 HydrophobicContact CD2-CG2 4.37Å; F42-V49 HydrophobicContact CE2-CB 4.03Å; F42-V49 HydrophobicContact CE2-CG2 3.75Å; V49-V51 HydrophobicContact CG1-CG1 3.89Å
50E90.6Very high87.8Confident115 Ų11567.5 Ų67.554%0.53737%0.365SS..EExtended strand (participates in β ladder)trans-104.8118170.3-70.8-178.9-163.200109.2V38 K39V38-E50 WeakPolarHBondContact O-CA 3.22Å; K39-E50 HydrophobicContact CB-CG 3.86Å; K39-E50 HydrophobicContact CD-CG 4.3Å; K39-E50 HydrophobicContact CG-CG 3.76Å; K39-E50 IonicContact NZ-OE1 2.63Å; K39-E50 PolarHBondContact NZ-OE1 2.76Å
51V90.5Very high87.5Confident20 Ų2074.5 Ų74.512%0.12140%0.396CS..EExtended strand (participates in β ladder)trans-122.3165.7-178.7-64.60000110.5V38 V40 V49 H55 I56 V68V38-V51 HydrophobicContact CB-CG2 4.48Å; V38-V51 PolarHBondContact N-O 3.11Å; V38-V51 PolarHBondContact O-N 2.88Å; V40-V51 HydrophobicContact CG2-CG2 4.46Å; V49-V51 HydrophobicContact CG1-CG1 3.89Å; V51-H55 HydrophobicContact CB-CB 4.43Å; V51-I56 HydrophobicContact CG2-CD1 3.49Å; V51-I56 VanDerWaalsContact CG2-CD1 3.49Å; V51-I56 HydrophobicContact CG2-CG1 3.67Å; V51-V68 HydrophobicContact CB-CG1 4.32Å; V51-V68 HydrophobicContact CG1-CG1 3.82Å; V51-V68 HydrophobicContact CG2-CG1 3.8Å
52Q89.4Confident87.3Confident81 Ų8177.1 Ų77.138%0.37941%0.411SS..EExtended strand (participates in β ladder)trans-85159171.7-66.9173.4-7.700110.4D54 H55Q52-D54 PolarHBondContact O-N 3.14Å; Q52-H55 PolarHBondContact O-N 2.99Å; Q52-H55 VanDerWaalsContact O-N 3.1Å
53D86.5Confident87Confident9 Ų979.5 Ų79.55%0.04844%0.436CS..G310 helixtrans-61.3-30.7179.154.5-58000113.4R34 V36 H55 I56 L60R34-D53 IonicContact CZ-OD2 3.92Å; R34-D53 VanDerWaalsContact CZ-OD2 3.27Å; R34-D53 IonicContact NE-OD2 3.87Å; R34-D53 PolarHBondContact NE-OD2 2.81Å; R34-D53 IonicContact NH2-OD2 2.67Å; R34-D53 PolarHBondContact NH2-OD2 2.85Å; V36-D53 HydrophobicContact CB-CB 4.22Å; V36-D53 PolarHBondContact N-OD1 2.83Å; V36-D53 PolarHBondContact O-N 2.85Å; D53-H55 PolarHBondContact O-N 2.88Å; D53-H55 VanDerWaalsContact O-N 3.11Å; D53-I56 PolarHBondContact O-N 3.23Å; D53-L60 HydrophobicContact CB-CD1 3.88Å; D53-L60 HydrophobicContact CB-CD2 4.2Å
54D87.4Confident87.1Confident121 Ų12173.7 Ų73.765%0.64742%0.419SS*.G310 helixtrans-60.3-21.2175.1-60.4-26.1000113.9Q52Q52-D54 PolarHBondContact O-N 3.14Å
55H88.6Confident87.6Confident80 Ų8071.9 Ų71.937%0.3741%0.412SS..G310 helixtrans-96.17.5178.2-64.1154.2000113.5V51 Q52 D53 K69V51-H55 HydrophobicContact CB-CB 4.43Å; Q52-H55 PolarHBondContact O-N 2.99Å; Q52-H55 VanDerWaalsContact O-N 3.1Å; D53-H55 PolarHBondContact O-N 2.88Å; D53-H55 VanDerWaalsContact O-N 3.11Å; H55-K69 HydrophobicContact CB-CB 4.3Å; H55-K69 PolarHBondContact O-N 3.08Å
56I89.4Confident88.2Confident17 Ų1767.1 Ų67.19%0.08739%0.387CS..EExtended strand (participates in β ladder)trans-120.5129.9-175.5-60.3173.2000110.7V38 V40 V51 D53 L60 V66 E67 V68V38-I56 HydrophobicContact CB-CD1 3.29Å; V38-I56 HydrophobicContact CG1-CD1 3.56Å; V38-I56 HydrophobicContact CG2-CD1 3.4Å; V38-I56 VanDerWaalsContact CG2-CD1 3.4Å; V40-I56 HydrophobicContact CG1-CD1 4.45Å; V51-I56 HydrophobicContact CG2-CD1 3.49Å; V51-I56 VanDerWaalsContact CG2-CD1 3.49Å; V51-I56 HydrophobicContact CG2-CG1 3.67Å; D53-I56 PolarHBondContact O-N 3.23Å; I56-L60 HydrophobicContact CD1-CD2 4.46Å; I56-L60 HydrophobicContact CG2-CD2 4.36Å; I56-V66 HydrophobicContact CG2-CB 3.64Å; I56-V66 HydrophobicContact CG2-CG1 4.08Å; I56-V66 HydrophobicContact CG2-CG2 3.67Å; I56-E67 WeakPolarHBondContact CA-O 3.34Å; I56-V68 HydrophobicContact CG1-CG2 4.23Å
57K88.3Confident88.6Confident107 Ų10767.2 Ų67.247%0.46538%0.377SS..EExtended strand (participates in β ladder)trans-106.8119.7167.8-67.1174.4176.2170.80109.6V66 E67 Y75K57-V66 WeakPolarHBondContact O-CB 3.44Å; K57-E67 HydrophobicContact CB-CB 4.27Å; K57-E67 PolarHBondContact N-O 3.24Å; K57-E67 PolarHBondContact O-N 3.35Å; K57-Y75 HydrophobicContact CD-CD1 4.04Å; K57-Y75 HydrophobicContact CD-CE1 3.66Å; K57-Y75 VanDerWaalsContact CE-CZ 3.43Å; K57-Y75 WeakPolarHBondContact CE-OH 3.33Å; K57-Y75 HydrophobicContact CG-CD1 4.49Å; K57-Y75 HydrophobicContact CG-CE1 3.97Å
58G86.9Confident88.8Confident47 Ų4764.9 Ų64.949%0.48536%0.361SS..SBendtrans135.1-179.7177.100000113.3L60G58-L60 PolarHBondContact O-N 2.99Å
59P85.4Confident88.9Confident76 Ų7665.2 Ų65.249%0.49436%0.355SS..  trans-71.1121.8-177.227-32.4000111.5K61 A64P59-K61 PolarHBondContact O-N 2.98Å; P59-A64 HydrophobicContact CG-CB 4.05Å; P59-A64 WeakPolarHBondContact O-CB 3.38Å
60L85.8Confident88.5Confident44 Ų4464.4 Ų64.423%0.2335%0.349CS..  trans-71.271.3174.3-63.5175.9000111.3V38 D53 I56 G58 I80 L83V38-L60 HydrophobicContact CG2-CD2 4.13Å; D53-L60 HydrophobicContact CB-CD1 3.88Å; D53-L60 HydrophobicContact CB-CD2 4.2Å; I56-L60 HydrophobicContact CD1-CD2 4.46Å; I56-L60 HydrophobicContact CG2-CD2 4.36Å; G58-L60 PolarHBondContact O-N 2.99Å; L60-I80 HydrophobicContact CD2-CD1 4.48Å; L60-L83 HydrophobicContact CB-CD2 4.31Å; L60-L83 HydrophobicContact CD2-CD2 4.44Å; L60-L83 VanDerWaalsContact O-CD1 3.28Å; L60-L83 WeakPolarHBondContact O-CD1 3.42Å
61K85.8Confident87.9Confident147 Ų14767.7 Ų67.764%0.63937%0.369SS*.  trans-132138.2175.8-65.2-171.5178.1-172.60110.1P59 G63 A64 I80P59-K61 PolarHBondContact O-N 2.98Å; K61-G63 PolarHBondContact O-N 2.78Å; K61-A64 HydrophobicContact CB-CB 4.29Å; K61-A64 WeakPolarHBondContact O-CB 3.15Å; K61-A64 PolarHBondContact O-N 2.9Å; K61-I80 WeakPolarHBondContact O-CB 3.41Å
62V87.6Confident87.3Confident91 Ų9174 Ų7455%0.55240%0.402SS*.THydrogen-bonded Turntrans-61.6131.6175177.90000109.8I80 N81 L83V62-I80 HydrophobicContact CG2-CG2 4.38Å; V62-N81 WeakPolarHBondContact CG1-O 3.44Å; V62-L83 HydrophobicContact CG2-CB 4.44Å; V62-L83 HydrophobicContact CG2-CD1 4.08Å; V62-L83 HydrophobicContact CG2-CG 4.03Å
63G85.5Confident86.7Confident53 Ų5372 Ų7255%0.54640%0.402SS..THydrogen-bonded Turntrans85.7-4.5-173.300000115.2K61 I80K61-G63 PolarHBondContact O-N 2.78Å; G63-I80 PolarHBondContact N-O 3.13Å
64A89.4Confident86.7Confident18 Ų1874.2 Ų74.215%0.14942%0.422CS..  trans-74.9147.4175.100000112.3P59 K61 V66 V79 I80P59-A64 HydrophobicContact CG-CB 4.05Å; P59-A64 WeakPolarHBondContact O-CB 3.38Å; K61-A64 HydrophobicContact CB-CB 4.29Å; K61-A64 WeakPolarHBondContact O-CB 3.15Å; K61-A64 PolarHBondContact O-N 2.9Å; A64-V66 HydrophobicContact CB-CG1 4.42Å; A64-V79 WeakPolarHBondContact O-CA 3.49Å; A64-I80 PolarHBondContact O-N 2.77Å
65I91Very high86.8Confident93 Ų9372.6 Ų72.648%0.47741%0.408SS..EExtended strand (participates in β ladder)trans-84.4129.5167.1-56.2169.4000107.5A78 V79I65-A78 WeakPolarHBondContact CA-O 3.15Å; I65-V79 HydrophobicContact CG1-CG2 4.3Å
66V93.3Very high86.9Confident4 Ų470.7 Ų70.72%0.02440%0.399CS..EExtended strand (participates in β ladder)trans-141157.1-178.3-62.90000110.3V40 I56 K57 A64 V68 A78 I80V40-V66 HydrophobicContact CG1-CG2 4.5Å; I56-V66 HydrophobicContact CG2-CB 3.64Å; I56-V66 HydrophobicContact CG2-CG1 4.08Å; I56-V66 HydrophobicContact CG2-CG2 3.67Å; K57-V66 WeakPolarHBondContact O-CB 3.44Å; A64-V66 HydrophobicContact CB-CG1 4.42Å; V66-V68 HydrophobicContact CG2-CG2 3.99Å; V66-A78 PolarHBondContact N-O 3.11Å; V66-A78 PolarHBondContact O-N 2.82Å; V66-A78 VanDerWaalsContact O-O 3.07Å; V66-I80 HydrophobicContact CG1-CD1 3.71Å; V66-I80 HydrophobicContact CG1-CG1 4.11Å; V66-I80 HydrophobicContact CG2-CD1 4.06Å; V66-I80 HydrophobicContact CG2-CG1 3.67Å
67E92.4Very high87Confident94 Ų9473.4 Ų73.444%0.43941%0.411SS..EExtended strand (participates in β ladder)trans-94.7129.8173.1-59.6-177.812100110I56 K57 Y75I56-E67 WeakPolarHBondContact CA-O 3.34Å; K57-E67 HydrophobicContact CB-CB 4.27Å; K57-E67 PolarHBondContact N-O 3.24Å; K57-E67 PolarHBondContact O-N 3.35Å; E67-Y75 HydrophobicContact CB-CD1 4.16Å
68V92.4Very high87.2Confident0 Ų068.3 Ų68.30%039%0.389CS..EExtended strand (participates in β ladder)trans-119.2132.2-175.4-176.70000110V40 F42 V51 I56 V66 N70 Y75 Q76 A78V40-V68 HydrophobicContact CB-CG2 4.32Å; V40-V68 HydrophobicContact CG1-CG2 4.01Å; V40-V68 HydrophobicContact CG2-CG1 4.35Å; V40-V68 HydrophobicContact CG2-CG2 4.11Å; F42-V68 HydrophobicContact CE1-CB 3.82Å; F42-V68 HydrophobicContact CE1-CG1 4.3Å; F42-V68 HydrophobicContact CZ-CB 3.98Å; F42-V68 HydrophobicContact CZ-CG1 3.94Å; V51-V68 HydrophobicContact CB-CG1 4.32Å; V51-V68 HydrophobicContact CG1-CG1 3.82Å; V51-V68 HydrophobicContact CG2-CG1 3.8Å; I56-V68 HydrophobicContact CG1-CG2 4.23Å; V66-V68 HydrophobicContact CG2-CG2 3.99Å; V68-N70 PolarHBondContact O-N 3.18Å; V68-Y75 WeakPolarHBondContact O-CA 3.42Å; V68-Q76 PolarHBondContact N-O 3.08Å; V68-Q76 PolarHBondContact O-N 2.99Å; V68-A78 HydrophobicContact CG2-CB 3.77Å
69K90.6Very high87.5Confident91 Ų9168.1 Ų68.140%0.39638%0.378SS..EExtended strand (participates in β ladder)trans-75.4115.2178.4-168.9179.6179.1-175.90110.5H55 Y75H55-K69 HydrophobicContact CB-CB 4.3Å; H55-K69 PolarHBondContact O-N 3.08Å; K69-Y75 HydrophobicContact CB-CD1 4.18Å; K69-Y75 HydrophobicContact CB-CE1 3.77Å; K69-Y75 HydrophobicContact CG-CE1 4.42Å
70N82.9Confident87.9Confident45 Ų4564.5 Ų64.524%0.24136%0.355CS..  trans-77.7168.9172.3-79-27.1000111.7F42 V68 D72 G73 A74 Q76F42-N70 WeakPolarHBondContact CZ-OD1 3.14Å; V68-N70 PolarHBondContact O-N 3.18Å; N70-D72 PolarHBondContact O-N 2.9Å; N70-G73 WeakPolarHBondContact O-CA 3.26Å; N70-G73 PolarHBondContact O-N 3.3Å; N70-A74 PolarHBondContact N-O 3.47Å; N70-Q76 PolarHBondContact ND2-OE1 3.16Å
71L77.7Confident88.1Confident184 Ų18466 Ų6696%0.96336%0.363SS*.THydrogen-bonded Turntrans-58.9-31.2178.1-65.7174.6000112.6G73L71-G73 PolarHBondContact O-N 3.45Å
72D76.5Confident88.2Confident153 Ų15364.6 Ų64.682%0.81836%0.357SS*.THydrogen-bonded Turntrans-75.56.9174.6-50.5-58.6000113.5N70 A74N70-D72 PolarHBondContact O-N 2.9Å; D72-A74 PolarHBondContact O-N 2.9Å; D72-A74 VanDerWaalsContact O-N 3.12Å
73G78Confident88.2Confident37 Ų3762.1 Ų62.138%0.38134%0.34SS..SBendtrans76.9-13.3-179.900000115.4N70 L71N70-G73 WeakPolarHBondContact O-CA 3.26Å; N70-G73 PolarHBondContact O-N 3.3Å; L71-G73 PolarHBondContact O-N 3.45Å
74A86.1Confident88.2Confident56 Ų5662.2 Ų62.246%0.46333%0.33SS..  trans-68.8143176.100000112.2N70 D72N70-A74 PolarHBondContact N-O 3.47Å; D72-A74 PolarHBondContact O-N 2.9Å; D72-A74 VanDerWaalsContact O-N 3.12Å
75Y88.9Confident87.9Confident88 Ų8863 Ų6335%0.34533%0.332SS..EExtended strand (participates in β ladder)trans-89.3134.6170.6-73.9-87.3000109.9K57 E67 V68 K69K57-Y75 HydrophobicContact CD-CD1 4.04Å; K57-Y75 HydrophobicContact CD-CE1 3.66Å; K57-Y75 VanDerWaalsContact CE-CZ 3.43Å; K57-Y75 WeakPolarHBondContact CE-OH 3.33Å; K57-Y75 HydrophobicContact CG-CD1 4.49Å; K57-Y75 HydrophobicContact CG-CE1 3.97Å; E67-Y75 HydrophobicContact CB-CD1 4.16Å; V68-Y75 WeakPolarHBondContact O-CA 3.42Å; K69-Y75 HydrophobicContact CB-CD1 4.18Å; K69-Y75 HydrophobicContact CB-CE1 3.77Å; K69-Y75 HydrophobicContact CG-CE1 4.42Å
76Q90.4Very high87.5Confident39 Ų3959.6 Ų59.618%0.18232%0.318CS..EExtended strand (participates in β ladder)trans-134.4141.7179.9-167.4-176.731.800110.6F42 D45 V68 N70 A78F42-Q76 HydrophobicContact CD1-CB 3.87Å; F42-Q76 HydrophobicContact CD1-CG 3.89Å; F42-Q76 HydrophobicContact CE1-CB 3.87Å; F42-Q76 HydrophobicContact CE1-CG 4.39Å; D45-Q76 PolarHBondContact OD2-NE2 2.96Å; V68-Q76 PolarHBondContact N-O 3.08Å; V68-Q76 PolarHBondContact O-N 2.99Å; N70-Q76 PolarHBondContact ND2-OE1 3.16Å; Q76-A78 PolarHBondContact O-N 3.13Å
77E92.8Very high87.3Confident75 Ų7559.4 Ų59.435%0.3532%0.317SS..EExtended strand (participates in β ladder)trans-66128179.7-69.5-167.116900112.3R43R43-E77 WeakPolarHBondContact CD-OE2 3.36Å; R43-E77 HydrophobicContact CG-CB 4.39Å; R43-E77 IonicContact CZ-OE2 3.71Å; R43-E77 PolarHBondContact N-O 3.15Å; R43-E77 IonicContact NE-OE2 2.61Å; R43-E77 IonicContact NH1-OE2 2.71Å; R43-E77 PolarHBondContact NH1-OE2 2.8Å
78A92.7Very high87.1Confident0 Ų059.9 Ų59.90%032%0.315CS..EExtended strand (participates in β ladder)trans-138.1160.1175.500000111.5V40 T41 F42 I65 V66 V68 Q76V40-A78 HydrophobicContact CB-CB 3.8Å; V40-A78 HydrophobicContact CG2-CB 4.15Å; T41-A78 CarbonylContact O-C 3.56Å; T41-A78 WeakPolarHBondContact O-CA 3.35Å; T41-A78 WeakPolarHBondContact O-CB 3.5Å; F42-A78 HydrophobicContact CD1-CB 3.79Å; F42-A78 HydrophobicContact CE1-CB 4.11Å; F42-A78 HydrophobicContact CG-CB 4.23Å; I65-A78 WeakPolarHBondContact CA-O 3.15Å; V66-A78 PolarHBondContact N-O 3.11Å; V66-A78 PolarHBondContact O-N 2.82Å; V66-A78 VanDerWaalsContact O-O 3.07Å; V68-A78 HydrophobicContact CG2-CB 3.77Å; Q76-A78 PolarHBondContact O-N 3.13Å
79V93.1Very high87.1Confident42 Ų4259.9 Ų59.926%0.25532%0.315SS..EExtended strand (participates in β ladder)trans-106.6131.9174.7-176.70000109.4V40 T41 R43 A64 I65 N81V40-V79 CarbonylContact C-O 3.55Å; V40-V79 VanDerWaalsContact CA-O 3.28Å; V40-V79 WeakPolarHBondContact CA-O 3.33Å; T41-V79 PolarHBondContact N-O 3.22Å; T41-V79 PolarHBondContact O-N 3.17Å; R43-V79 HydrophobicContact CG-CG2 4.1Å; A64-V79 WeakPolarHBondContact O-CA 3.49Å; I65-V79 HydrophobicContact CG1-CG2 4.3Å; V79-N81 PolarHBondContact O-N 3.43Å
80I92.8Very high87.1Confident1 Ų157 Ų571%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-72.2116.7175.9-61.4-179.5000109.8V38 V40 L60 K61 V62 G63 A64 V66 L83V38-I80 HydrophobicContact CG1-CB 4.28Å; V38-I80 HydrophobicContact CG1-CD1 3.99Å; V38-I80 HydrophobicContact CG1-CG1 3.81Å; V38-I80 HydrophobicContact CG1-CG2 3.7Å; V40-I80 HydrophobicContact CG1-CG1 4.29Å; L60-I80 HydrophobicContact CD2-CD1 4.48Å; K61-I80 WeakPolarHBondContact O-CB 3.41Å; V62-I80 HydrophobicContact CG2-CG2 4.38Å; G63-I80 PolarHBondContact N-O 3.13Å; A64-I80 PolarHBondContact O-N 2.77Å; V66-I80 HydrophobicContact CG1-CD1 3.71Å; V66-I80 HydrophobicContact CG1-CG1 4.11Å; V66-I80 HydrophobicContact CG2-CD1 4.06Å; V66-I80 HydrophobicContact CG2-CG1 3.67Å; I80-L83 HydrophobicContact CD1-CD2 4.45Å; I80-L83 HydrophobicContact CG2-CD2 4.02Å; I80-L83 HydrophobicContact CG2-CG 4.01Å
81N90.3Very high87.6Confident75 Ų7554.9 Ų54.940%0.40129%0.293SS..EExtended strand (participates in β ladder)trans-91.5-36.1174.4-55.9-61.6000112.8K39 T41 V62 V79K39-N81 PolarHBondContact O-N 2.93Å; T41-N81 PolarHBondContact N-ND2 3.21Å; T41-N81 PolarHBondContact OG1-ND2 3.22Å; V62-N81 WeakPolarHBondContact CG1-O 3.44Å; V79-N81 PolarHBondContact O-N 3.43Å
82K86.9Confident88.4Confident118 Ų11848 Ų4851%0.51326%0.259SS..EExtended strand (participates in β ladder)trans-151.9129.2-176.5-172-178.2178.3-170.50110.6K39 T84K39-K82 HydrophobicContact CB-CB 4.09Å; K39-K82 PolarHBondContact N-O 3.18Å; K39-K82 PolarHBondContact O-N 3.47Å; K82-T84 WeakPolarHBondContact CE-OG1 3.27Å
83L87.6Confident89.1Confident38 Ų3841.4 Ų41.420%0.19922%0.223CC..EExtended strand (participates in β ladder)trans-93.6132.1163.1-62.5164.9000107.5P8 V36 V38 L60 V62 I80P8-L83 HydrophobicContact CB-CD1 4.26Å; V36-L83 HydrophobicContact CG1-CB 4.29Å; V36-L83 HydrophobicContact CG1-CD2 4.03Å; V38-L83 HydrophobicContact CB-CD2 4.33Å; V38-L83 HydrophobicContact CG1-CD2 3.87Å; V38-L83 HydrophobicContact CG2-CD2 3.76Å; L60-L83 HydrophobicContact CB-CD2 4.31Å; L60-L83 HydrophobicContact CD2-CD2 4.44Å; L60-L83 VanDerWaalsContact O-CD1 3.28Å; L60-L83 WeakPolarHBondContact O-CD1 3.42Å; V62-L83 HydrophobicContact CG2-CB 4.44Å; V62-L83 HydrophobicContact CG2-CD1 4.08Å; V62-L83 HydrophobicContact CG2-CG 4.03Å; I80-L83 HydrophobicContact CD1-CD2 4.45Å; I80-L83 HydrophobicContact CG2-CD2 4.02Å; I80-L83 HydrophobicContact CG2-CG 4.01Å
84T85.4Confident89.3Confident55 Ų5546.3 Ų46.334%0.33724%0.241SC..EExtended strand (participates in β ladder)trans-127.4112.1175-53.70000107.8K37 K82 A86K37-T84 PolarHBondContact N-O 3.12Å; K37-T84 PolarHBondContact O-N 2.94Å; K82-T84 WeakPolarHBondContact CE-OG1 3.27Å; T84-A86 PolarHBondContact O-N 3.04Å
85D84.7Confident89.3Confident35 Ų3549.1 Ų49.119%0.18725%0.248CC..EExtended strand (participates in β ladder)trans-67.2122.6176.4-169.710000110.3P8 S87 Y89 R103P8-D85 WeakPolarHBondContact O-CB 3.45Å; D85-S87 WeakPolarHBondContact OD1-CB 3.23Å; D85-S87 PolarHBondContact OD1-N 2.8Å; D85-S87 PolarHBondContact OD1-OG 2.89Å; D85-Y89 PolarHBondContact OD2-OH 2.86Å; D85-R103 HydrophobicContact CB-CB 4.17Å; D85-R103 HydrophobicContact CB-CG 4.06Å; D85-R103 WeakPolarHBondContact OD2-CB 3.18Å; D85-R103 WeakPolarHBondContact OD2-CD 3.44Å; D85-R103 WeakPolarHBondContact OD2-CG 3.41Å
86A82.6Confident89.1Confident22 Ų2247.1 Ų47.118%0.18225%0.254CS..  trans-124.717.6174.100000111.1L35 K37 T84L35-A86 HydrophobicContact CD2-CB 3.71Å; L35-A86 CarbonylContact O-C 3.51Å; L35-A86 VanDerWaalsContact O-CA 3.3Å; L35-A86 WeakPolarHBondContact O-CA 3.47Å; L35-A86 PolarHBondContact O-N 2.95Å; K37-A86 HydrophobicContact CD-CB 4.37Å; K37-A86 HydrophobicContact CG-CB 4.13Å; T84-A86 PolarHBondContact O-N 3.04Å
87S87.9Confident88.9Confident0 Ų049.8 Ų49.80%027%0.27CS..  trans-63.2151.9178.6-53.40000111.6K33 R34 L35 D85 Y89K33-S87 WeakPolarHBondContact O-CA 3Å; K33-S87 WeakPolarHBondContact O-CB 3.11Å; R34-S87 WeakPolarHBondContact CA-OG 3.27Å; L35-S87 PolarHBondContact N-OG 2.92Å; L35-S87 PolarHBondContact O-N 3.16Å; L35-S87 PolarHBondContact O-OG 3.39Å; D85-S87 WeakPolarHBondContact OD1-CB 3.23Å; D85-S87 PolarHBondContact OD1-N 2.8Å; D85-S87 PolarHBondContact OD1-OG 2.89Å; S87-Y89 WeakPolarHBondContact CB-OH 3.43Å
88W89.1Confident88.9Confident104 Ų10451.1 Ų51.139%0.39428%0.276SS..EExtended strand (participates in β ladder)trans-106.1130.1172.8-64.693.1000109.7K33 T100 R102K33-W88 HydrophobicContact CB-CB 4.38Å; K33-W88 PolarHBondContact N-O 3.05Å; K33-W88 PolarHBondContact O-N 2.92Å; W88-T100 HydrophobicContact CB-CG2 3.84Å; W88-T100 HydrophobicContact CE3-CG2 3.99Å; W88-R102 HydrophobicContact CD2-CG 4.38Å; W88-R102 HydrophobicContact CE3-CG 3.9Å; W88-R102 HydrophobicContact CH2-CG 4.3Å; W88-R102 HydrophobicContact CZ3-CG 3.86Å
89Y91.9Very high88.7Confident0 Ų055.2 Ų55.20%029%0.294CS..EExtended strand (participates in β ladder)trans-119.4112.8-177.2-64-74.1000109.3Y9 L10 I29 T31 A32 D85 S87 V91 T100 L101 R103 L106Y9-Y89 WeakPolarHBondContact CA-OH 3.47Å; Y9-Y89 WeakPolarHBondContact CB-OH 3.35Å; L10-Y89 HydrophobicContact CB-CD1 4.48Å; L10-Y89 HydrophobicContact CB-CE1 3.8Å; L10-Y89 PolarHBondContact N-OH 2.93Å; L10-Y89 VanDerWaalsContact O-CE1 3.32Å; L10-Y89 WeakPolarHBondContact O-CE1 3.24Å; I29-Y89 HydrophobicContact CD1-CD1 3.8Å; I29-Y89 HydrophobicContact CD1-CE1 4.26Å; I29-Y89 HydrophobicContact CD1-CG 4.35Å; I29-Y89 HydrophobicContact CG1-CD1 4.44Å; I29-Y89 HydrophobicContact CG2-CD1 3.96Å; T31-Y89 CarbonylContact O-C 3.5Å; T31-Y89 WeakPolarHBondContact O-CA 3.3Å; A32-Y89 HydrophobicContact CB-CD1 3.63Å; A32-Y89 HydrophobicContact CB-CE1 3.57Å; D85-Y89 PolarHBondContact OD2-OH 2.86Å; S87-Y89 WeakPolarHBondContact CB-OH 3.43Å; Y89-V91 PolarHBondContact O-N 3.28Å; Y89-T100 CarbonylContact O-C 3.54Å; Y89-T100 WeakPolarHBondContact O-CA 3.26Å; Y89-L101 PolarHBondContact N-O 3.06Å; Y89-L101 PolarHBondContact O-N 2.88Å; Y89-R103 HydrophobicContact CE2-CB 4.15Å; Y89-L106 VanDerWaalsContact CB-CD1 3.48Å; Y89-L106 HydrophobicContact CD2-CD1 3.48Å; Y89-L106 VanDerWaalsContact CD2-CD1 3.48Å; Y89-L106 HydrophobicContact CE2-CD1 4.49Å; Y89-L106 HydrophobicContact CG-CD1 3.7Å
90T91.9Very high88.7Confident30 Ų3056.6 Ų56.618%0.18430%0.302CS..EExtended strand (participates in β ladder)trans-78.8111.4165.1-590000107.4K30 T31 E98 K99 T100K30-T90 PolarHBondContact N-O 2.74Å; T31-T90 PolarHBondContact N-O 2.9Å; T31-T90 VanDerWaalsContact N-O 3.11Å; T31-T90 PolarHBondContact O-N 3.08Å; T90-E98 HydrophobicContact CG2-CB 4.33Å; T90-K99 WeakPolarHBondContact CA-O 3.27Å; T90-T100 PolarHBondContact OG1-OG1 3.35Å
91V93.3Very high88.5Confident0 Ų057.4 Ų57.40%031%0.306CS..EExtended strand (participates in β ladder)trans-104.9146.5175.7-55.50000110V16 A18 A27 K28 I29 Y89 F93 E98 K99 L101 L106V16-V91 HydrophobicContact CG2-CG1 4.02Å; A18-V91 HydrophobicContact CB-CG2 4.2Å; A27-V91 HydrophobicContact CB-CB 3.83Å; A27-V91 HydrophobicContact CB-CG2 3.81Å; K28-V91 CarbonylContact O-C 3.45Å; K28-V91 VanDerWaalsContact O-CA 3.28Å; K28-V91 WeakPolarHBondContact O-CA 3.49Å; I29-V91 HydrophobicContact CG1-CG1 3.92Å; Y89-V91 PolarHBondContact O-N 3.28Å; V91-F93 HydrophobicContact CG2-CE2 4.19Å; V91-F93 HydrophobicContact CG2-CZ 4.18Å; V91-E98 CarbonylContact O-C 3.54Å; V91-E98 WeakPolarHBondContact O-CA 3.41Å; V91-K99 PolarHBondContact N-O 3.39Å; V91-K99 PolarHBondContact O-N 3.35Å; V91-L101 HydrophobicContact CG2-CD1 4.02Å; V91-L106 HydrophobicContact CG1-CD1 4.4Å; V91-L106 HydrophobicContact CG1-CD2 3.78Å; V91-L106 HydrophobicContact CG2-CD2 4.49Å
92V93.3Very high88.4Confident39 Ų3960.1 Ų60.124%0.23631%0.311CS..EExtended strand (participates in β ladder)trans-106.4125.1173.3-177.70000107.4A27 K28 K30 D97 E98A27-V92 CarbonylContact C-O 3.52Å; A27-V92 WeakPolarHBondContact CA-O 3.45Å; A27-V92 WeakPolarHBondContact CB-O 3.3Å; K28-V92 PolarHBondContact N-O 3.27Å; K28-V92 PolarHBondContact O-N 2.84Å; K30-V92 HydrophobicContact CB-CG2 3.62Å; K30-V92 HydrophobicContact CD-CG2 3.66Å; K30-V92 HydrophobicContact CG-CG2 4.21Å; V92-D97 WeakPolarHBondContact CA-O 3.18Å; V92-E98 HydrophobicContact CG2-CG 3.99Å
93F90.6Very high88.4Confident16 Ų1655.8 Ų55.87%0.0729%0.292CS..EExtended strand (participates in β ladder)trans-80.9170.7175.4-67.5-80.9000111.2A18 C25 A27 V91 D95 G96 D97 K99 L101A18-F93 HydrophobicContact CB-CE1 3.62Å; A18-F93 HydrophobicContact CB-CZ 3.86Å; C25-F93 HydrophobicContact CB-CD1 3.75Å; C25-F93 HydrophobicContact CB-CE1 3.8Å; A27-F93 HydrophobicContact CB-CD1 3.79Å; A27-F93 HydrophobicContact CB-CE1 4.03Å; A27-F93 HydrophobicContact CB-CG 4.31Å; V91-F93 HydrophobicContact CG2-CE2 4.19Å; V91-F93 HydrophobicContact CG2-CZ 4.18Å; F93-D95 VanDerWaalsContact C-N 3.28Å; F93-D95 WeakPolarHBondContact CB-OD1 3.32Å; F93-D95 PolarHBondContact O-N 3.44Å; F93-G96 PolarHBondContact O-N 2.84Å; F93-G96 VanDerWaalsContact O-N 3.11Å; F93-D97 HydrophobicContact CD2-CB 4.15Å; F93-D97 WeakPolarHBondContact CD2-O 3.08Å; F93-D97 PolarHBondContact N-O 3.45Å; F93-K99 HydrophobicContact CE2-CB 3.79Å; F93-L101 HydrophobicContact CZ-CD1 4.42Å
94D83.9Confident88.2Confident140 Ų14059.3 Ų59.375%0.74932%0.319SS*.THydrogen-bonded Turntrans-69.6-21.9-17957.7-43000114.2G96D94-G96 VanDerWaalsContact C-N 3.29Å
95D85.6Confident88.2Confident114 Ų11458.3 Ų58.361%0.6132%0.315SS*.THydrogen-bonded Turntrans-78.8-8.8169.756.713.8000113.9F93 D97F93-D95 VanDerWaalsContact C-N 3.28Å; F93-D95 WeakPolarHBondContact CB-OD1 3.32Å; F93-D95 PolarHBondContact O-N 3.44Å; D95-D97 WeakPolarHBondContact OD1-CB 3.42Å; D95-D97 PolarHBondContact OD1-N 3.18Å
96G83.6Confident88.3Confident47 Ų4757 Ų5749%0.48531%0.307SS..SBendtrans92-1.5-176.400000114.8F93 D94F93-G96 PolarHBondContact O-N 2.84Å; F93-G96 VanDerWaalsContact O-N 3.11Å; D94-G96 VanDerWaalsContact C-N 3.29Å
97D87.3Confident88.4Confident94 Ų9457 Ų5750%0.50331%0.306SS..  trans-65.4136.7175.5-90.45000110.6V92 F93 D95V92-D97 WeakPolarHBondContact CA-O 3.18Å; F93-D97 HydrophobicContact CD2-CB 4.15Å; F93-D97 WeakPolarHBondContact CD2-O 3.08Å; F93-D97 PolarHBondContact N-O 3.45Å; D95-D97 WeakPolarHBondContact OD1-CB 3.42Å; D95-D97 PolarHBondContact OD1-N 3.18Å
98E91.9Very high88.2Confident104 Ų10459.2 Ų59.249%0.48632%0.318SS..EExtended strand (participates in β ladder)trans-104.3132.9174.4-47.7-151.7162.900110.9K30 T90 V91 V92K30-E98 VanDerWaalsContact CD-OE1 3.3Å; K30-E98 WeakPolarHBondContact CD-OE1 3.47Å; K30-E98 WeakPolarHBondContact CD-OE2 3.42Å; K30-E98 WeakPolarHBondContact CE-OE1 3.24Å; K30-E98 IonicContact NZ-OE1 2.59Å; K30-E98 PolarHBondContact NZ-OE1 2.89Å; K30-E98 IonicContact NZ-OE2 3.23Å; K30-E98 PolarHBondContact NZ-OE2 2.58Å; T90-E98 HydrophobicContact CG2-CB 4.33Å; V91-E98 CarbonylContact O-C 3.54Å; V91-E98 WeakPolarHBondContact O-CA 3.41Å; V92-E98 HydrophobicContact CG2-CG 3.99Å
99K89.6Confident87.6Confident85 Ų8558.9 Ų58.937%0.3732%0.319SS..EExtended strand (participates in β ladder)trans-143.3130176.9-167.2160.3-175.8154.50113.8Y20 T90 V91 F93 L101Y20-K99 HydrophobicContact CD2-CD 3.93Å; Y20-K99 HydrophobicContact CE2-CD 3.73Å; Y20-K99 VanDerWaalsContact CE2-NZ 3.32Å; T90-K99 WeakPolarHBondContact CA-O 3.27Å; V91-K99 PolarHBondContact N-O 3.39Å; V91-K99 PolarHBondContact O-N 3.35Å; F93-K99 HydrophobicContact CE2-CB 3.79Å; K99-L101 HydrophobicContact CD-CD2 4.04Å; K99-L101 HydrophobicContact CG-CD2 3.99Å; K99-L101 HydrophobicContact CG-CG 4.11Å; K99-L101 PolarHBondContact O-N 3.47Å
100T92.1Very high86.1Confident72 Ų7262.4 Ų62.444%0.44236%0.356SS..EExtended strand (participates in β ladder)trans-79.8117.2169.8-42.40000110.8W88 Y89 T90W88-T100 HydrophobicContact CB-CG2 3.84Å; W88-T100 HydrophobicContact CE3-CG2 3.99Å; Y89-T100 CarbonylContact O-C 3.54Å; Y89-T100 WeakPolarHBondContact O-CA 3.26Å; T90-T100 PolarHBondContact OG1-OG1 3.35Å
101L89.6Confident84.6Confident17 Ų1765.7 Ų65.79%0.08937%0.369CS..EExtended strand (participates in β ladder)trans-123.5160.9-179.6-65.7177.9000110.9A18 Y89 V91 F93 K99 L106A18-L101 HydrophobicContact CB-CD1 3.71Å; Y89-L101 PolarHBondContact N-O 3.06Å; Y89-L101 PolarHBondContact O-N 2.88Å; V91-L101 HydrophobicContact CG2-CD1 4.02Å; F93-L101 HydrophobicContact CZ-CD1 4.42Å; K99-L101 HydrophobicContact CD-CD2 4.04Å; K99-L101 HydrophobicContact CG-CD2 3.99Å; K99-L101 HydrophobicContact CG-CG 4.11Å; K99-L101 PolarHBondContact O-N 3.47Å; L101-L106 HydrophobicContact CB-CD1 4.26Å; L101-L106 HydrophobicContact CB-CD2 4.29Å; L101-L106 HydrophobicContact CB-CG 4.25Å; L101-L106 HydrophobicContact CD1-CD2 4Å
102R88.4Confident82.7Confident132 Ų13276 Ų7650%0.49841%0.408SS..EExtended strand (participates in β ladder)trans-90.7158.1171.1-70.3-171.8173.5-167.5-1.7110.7W88 S104 S105W88-R102 HydrophobicContact CD2-CG 4.38Å; W88-R102 HydrophobicContact CE3-CG 3.9Å; W88-R102 HydrophobicContact CH2-CG 4.3Å; W88-R102 HydrophobicContact CZ3-CG 3.86Å; R102-S104 PolarHBondContact O-N 3.2Å; R102-S104 VanDerWaalsContact O-N 3.08Å; R102-S105 WeakPolarHBondContact O-CB 3.42Å; R102-S105 PolarHBondContact O-N 3.32Å
103R86.1Confident81Confident28 Ų2878.5 Ų78.511%0.10642%0.417CS..G310 helixtrans-47-39.6175.6-172.866.3-175.6109.3-8.1114.1E6 D85 Y89 S105 L106E6-R103 IonicContact OE1-CZ 2.72Å; E6-R103 IonicContact OE1-NE 3.15Å; E6-R103 IonicContact OE1-NH2 2.83Å; E6-R103 PolarHBondContact OE1-NH2 3.42Å; D85-R103 HydrophobicContact CB-CB 4.17Å; D85-R103 HydrophobicContact CB-CG 4.06Å; D85-R103 WeakPolarHBondContact OD2-CB 3.18Å; D85-R103 WeakPolarHBondContact OD2-CD 3.44Å; D85-R103 WeakPolarHBondContact OD2-CG 3.41Å; Y89-R103 HydrophobicContact CE2-CB 4.15Å; R103-S105 PolarHBondContact O-N 3.29Å; R103-S105 VanDerWaalsContact O-N 3.12Å; R103-L106 PolarHBondContact NH1-O 2.93Å; R103-L106 PolarHBondContact O-N 2.91Å
104S83.2Confident79Confident111 Ų11185.2 Ų85.278%0.77645%0.446SS*.G310 helixtrans-64.3-12.2178.559.70000115.3R102R102-S104 PolarHBondContact O-N 3.2Å; R102-S104 VanDerWaalsContact O-N 3.08Å
105S85.8Confident77.3Confident35 Ų3581.3 Ų81.325%0.24543%0.434CS..G310 helixtrans-1079.1176.5-58.10000112A18 K19 R102 R103A18-S105 WeakPolarHBondContact CA-O 3.3Å; K19-S105 PolarHBondContact N-O 2.91Å; R102-S105 WeakPolarHBondContact O-CB 3.42Å; R102-S105 PolarHBondContact O-N 3.32Å; R103-S105 PolarHBondContact O-N 3.29Å; R103-S105 VanDerWaalsContact O-N 3.12Å
106L86.1Confident75.6Confident6 Ų683.2 Ų83.23%0.03144%0.439CS..EExtended strand (participates in β ladder)trans-130.4132.5-173.5-63.8167.3000109.9V16 A18 Y89 V91 L101 R103V16-L106 HydrophobicContact CG2-CD2 4.06Å; A18-L106 HydrophobicContact CB-CD2 3.71Å; Y89-L106 VanDerWaalsContact CB-CD1 3.48Å; Y89-L106 HydrophobicContact CD2-CD1 3.48Å; Y89-L106 VanDerWaalsContact CD2-CD1 3.48Å; Y89-L106 HydrophobicContact CE2-CD1 4.49Å; Y89-L106 HydrophobicContact CG-CD1 3.7Å; V91-L106 HydrophobicContact CG1-CD1 4.4Å; V91-L106 HydrophobicContact CG1-CD2 3.78Å; V91-L106 HydrophobicContact CG2-CD2 4.49Å; L101-L106 HydrophobicContact CB-CD1 4.26Å; L101-L106 HydrophobicContact CB-CD2 4.29Å; L101-L106 HydrophobicContact CB-CG 4.25Å; L101-L106 HydrophobicContact CD1-CD2 4Å; R103-L106 PolarHBondContact NH1-O 2.93Å; R103-L106 PolarHBondContact O-N 2.91Å
107C84.3Confident73.8Confident23 Ų2385.9 Ų85.916%0.15545%0.45CS..EExtended strand (participates in β ladder)trans-120.3150.9178.4-74.10000109V16 S17 H113V16-C107 CarbonylContact C-O 2.98Å; V16-C107 WeakPolarHBondContact CA-O 3.5Å; V16-C107 WeakPolarHBondContact CB-O 3.48Å; S17-C107 PolarHBondContact N-O 3.1Å; S17-C107 PolarHBondContact O-N 3.05Å; C107-H113 VanDerWaalsContact CB-NE2 3.35Å; C107-H113 WeakPolarHBondContact CB-NE2 3.49Å
108L85.4Confident72Confident46 Ų4689.3 Ų89.324%0.24146%0.463CS..EExtended strand (participates in β ladder)trans-73.5134.2175.2-76.9170.5000109.7L10 T14 G110 E111L10-L108 HydrophobicContact CD2-CD2 3.66Å; L10-L108 HydrophobicContact CD2-CG 4.25Å; T14-L108 HydrophobicContact CG2-CD2 3.8Å; L108-G110 PolarHBondContact O-N 3.26Å; L108-G110 VanDerWaalsContact O-N 3.14Å; L108-E111 PolarHBondContact O-N 2.64Å
109K75.4Confident70.1Confident97 Ų9786.3 Ų86.342%0.42245%0.452SS..THydrogen-bonded Turntrans-63.8117.7-179.8-175.6172.9-176.8164.30110D15 E26D15-K109 HydrophobicContact CB-CB 3.93Å; D15-K109 HydrophobicContact CB-CD 3.67Å; D15-K109 HydrophobicContact CB-CG 4.43Å; D15-K109 WeakPolarHBondContact O-CB 3.4Å; D15-K109 PolarHBondContact O-N 3.17Å; E26-K109 VanDerWaalsContact CD-CE 3.48Å; E26-K109 WeakPolarHBondContact OE1-CE 3.39Å; E26-K109 IonicContact OE1-NZ 2.65Å; E26-K109 PolarHBondContact OE1-NZ 2.93Å; E26-K109 WeakPolarHBondContact OE2-CE 3.45Å; E26-K109 IonicContact OE2-NZ 2.65Å; E26-K109 PolarHBondContact OE2-NZ 2.93Å
110G61.4Low68.3Low75 Ų7588.6 Ų88.677%0.77347%0.468SS*.THydrogen-bonded Turntrans114.9-11.7177.800000115.6L108L108-G110 PolarHBondContact O-N 3.26Å; L108-G110 VanDerWaalsContact O-N 3.14Å
111E60.4Low66.5Low98 Ų9892.2 Ų92.246%0.45848%0.484SS..SBendtrans-77.2137.9167-81.2-169.7128.400111.2L108 H113L108-E111 PolarHBondContact O-N 2.64Å; E111-H113 VanDerWaalsContact CB-NE2 3.29Å; E111-H113 WeakPolarHBondContact CB-NE2 3.39Å; E111-H113 PolarHBondContact O-CD2 3.34Å; E111-H113 PolarHBondContact O-N 2.99Å; E111-H113 VanDerWaalsContact O-N 3.15Å; E111-H113 IonicContact OE2-CE1 3.72Å; E111-H113 IonicContact OE2-NE2 3.82Å
112R52.1Low64.7Low218 Ų21898.7 Ų98.782%0.82351%0.514SS*.  trans-81.494.1178.3-78.4-172.8-85-174.1-7.3109.8
113H58.2Low63.1Low91 Ų9197.4 Ų97.442%0.42152%0.516SS..  trans-85.9-1.4179-66.2-73.4000114.9C107 E111 A115C107-H113 VanDerWaalsContact CB-NE2 3.35Å; C107-H113 WeakPolarHBondContact CB-NE2 3.49Å; E111-H113 VanDerWaalsContact CB-NE2 3.29Å; E111-H113 WeakPolarHBondContact CB-NE2 3.39Å; E111-H113 PolarHBondContact O-CD2 3.34Å; E111-H113 PolarHBondContact O-N 2.99Å; E111-H113 VanDerWaalsContact O-N 3.15Å; E111-H113 IonicContact OE2-CE1 3.72Å; E111-H113 IonicContact OE2-NE2 3.82Å; H113-A115 PolarHBondContact O-N 3.45Å
114F48.6Very low61.1Low156 Ų156101.4 Ų101.468%0.68455%0.546SS*.SBendtrans-70.7125167.8-63.6-80000109.9E116 T119F114-E116 PolarHBondContact O-N 3.45Å; F114-T119 HydrophobicContact CB-CG2 4.39Å; F114-T119 HydrophobicContact CD1-CG2 3.74Å; F114-T119 HydrophobicContact CE1-CG2 4.16Å; F114-T119 HydrophobicContact CG-CG2 4.01Å
115A47.6Very low59.8Low59 Ų59103.9 Ų103.949%0.48855%0.55SS..  trans-61.6122.4145.700000106.4H113 S117 E118H113-A115 PolarHBondContact O-N 3.45Å; A115-S117 PolarHBondContact O-N 2.98Å; A115-E118 PolarHBondContact O-N 3.44Å; A115-E118 VanDerWaalsContact O-N 3.17Å
116E50Low58.1Low153 Ų153107.4 Ų107.472%0.71557%0.57SS**THydrogen-bonded Turntrans-63.21.8-172.5-143.5167.5-144.600113.8F114F114-E116 PolarHBondContact O-N 3.45Å
117S46.2Very low56.2Low104 Ų104113.4 Ų113.473%0.72760%0.602SS**THydrogen-bonded Turntrans-94.9-8.2178.555.50000115.6A115A115-S117 PolarHBondContact O-N 2.98Å
118E50Low54.7Low165 Ų165118.3 Ų118.377%0.77163%0.634SS**  trans-117.56.3-175.8-76.1-169.5141.300115A115 L120A115-E118 PolarHBondContact O-N 3.44Å; A115-E118 VanDerWaalsContact O-N 3.17Å; E118-L120 PolarHBondContact O-N 3.02Å
119T51.3Low53.2Low42 Ų42124.9 Ų124.926%0.25866%0.663SS.*  trans-76119.9171.249.20000110.8F114 D121F114-T119 HydrophobicContact CB-CG2 4.39Å; F114-T119 HydrophobicContact CD1-CG2 3.74Å; F114-T119 HydrophobicContact CE1-CG2 4.16Å; F114-T119 HydrophobicContact CG-CG2 4.01Å; T119-D121 PolarHBondContact O-N 3.09Å; T119-D121 VanDerWaalsContact O-N 3.08Å
120L53.1Low51.9Low133 Ų133128.5 Ų128.570%0.69668%0.681SS**G310 helixtrans-64.1-12.5179.8-153.476.7000112.8E118 Q122 L123E118-L120 PolarHBondContact O-N 3.02Å; L120-Q122 VanDerWaalsContact C-N 3.27Å; L120-Q122 PolarHBondContact O-N 2.87Å; L120-L123 HydrophobicContact CD1-CD1 3.65Å; L120-L123 HydrophobicContact CG-CD1 3.84Å; L120-L123 WeakPolarHBondContact O-CD1 3.24Å; L120-L123 PolarHBondContact O-N 2.88Å
121D53.5Low51.2Low147 Ų147135 Ų13579%0.78669%0.689SS**G310 helixtrans-73.4-8.2-173.8-53.3-52.2000114.9T119T119-D121 PolarHBondContact O-N 3.09Å; T119-D121 VanDerWaalsContact O-N 3.08Å
122Q52.7Low50.8Low154 Ų154133 Ų13372%0.7269%0.694SS**G310 helixtrans-94.53.1173.2-65.5-167.73300113.9L120L120-Q122 VanDerWaalsContact C-N 3.27Å; L120-Q122 PolarHBondContact O-N 2.87Å
123L53.6Low50.6Low104 Ų104128.8 Ų128.855%0.54569%0.693SS.*SBendtrans-73.3126.8167.1-82.1127000109.7L120 L125L120-L123 HydrophobicContact CD1-CD1 3.65Å; L120-L123 HydrophobicContact CG-CD1 3.84Å; L120-L123 WeakPolarHBondContact O-CD1 3.24Å; L120-L123 PolarHBondContact O-N 2.88Å; L123-L125 HydrophobicContact CB-CD1 4.43Å; L123-L125 PolarHBondContact O-N 3.48Å
124P44.7Very low50.2Low113 Ų113130 Ų13073%0.73471%0.709SS**  trans-71.892.4178.829.4-33.9000110T126P124-T126 PolarHBondContact O-N 2.99Å
125L55.8Low49.8Very low162 Ų162128.9 Ų128.985%0.84872%0.715SS**  trans-72.343.7174-103.8100.9000113.1L123L123-L125 HydrophobicContact CB-CD1 4.43Å; L123-L125 PolarHBondContact O-N 3.48Å
126T50.8Low49.8Very low110 Ų110133.3 Ų133.368%0.67573%0.728SS**  trans-14684.2177.843.60000111.8P124P124-T126 PolarHBondContact O-N 2.99Å
127N45.4Very low49.4Very low131 Ų131129.2 Ų129.270%0.70173%0.728SS**  160.8116.9129.5-80.3-10.2000112.7E129N127-E129 PolarHBondContact O-N 3.06Å
128P51.6Low49.2Very low127 Ų127133.6 Ų133.683%0.82573%0.734SS**G310 helixtrans-72.3-17.7-179.9-21.634.4000116.8
129E55.6Low49.1Very low184 Ų184135.2 Ų135.286%0.8674%0.738SS**G310 helixtrans-89.9-3.2-162.5-68.2-160.2119.100116.7N127N127-E129 PolarHBondContact O-N 3.06Å
130H46.7Very low48.6Very low172 Ų172140.2 Ų140.280%0.79677%0.769SS**G310 helixtrans-93.55.5-170-106.1-65.4000117.1G132H130-G132 PolarHBondContact O-N 2.88Å; H130-G132 VanDerWaalsContact O-N 3.09Å
131F48.2Very low48.1Very low212 Ų212141.4 Ų141.493%0.9378%0.776SS**  trans-85.945.2176.4-83.1-83.5000113.7
132G52Low47.6Very low56 Ų56146.5 Ų146.558%0.57778%0.784SS**  trans-122.622.4-16200000118.3H130H130-G132 PolarHBondContact O-N 2.88Å; H130-G132 VanDerWaalsContact O-N 3.09Å
133T46.4Very low46.9Very low130 Ų130142.9 Ų142.980%0.79879%0.788SS**  trans-177.9139.4156.513.70000113.1
134P50.7Low46.4Very low115 Ų115149.3 Ų149.375%0.74781%0.805SS**  trans-88.3119.2172.833.2-31.1000111.7I136P134-I136 PolarHBondContact O-N 2.91Å
135V40.6Very low46.3Very low134 Ų134155.8 Ų155.881%0.81282%0.815SS**  trans-95.399.3179.3-170.80000111.1G137V135-G137 PolarHBondContact O-N 3.49Å
136I46.9Very low45.4Very low151 Ų151153.2 Ų153.277%0.77481%0.811SS**  trans-64.3119.4165.2-88.163000108.7P134P134-I136 PolarHBondContact O-N 2.91Å
137G41.9Very low44.6Very low68 Ų68156.4 Ų156.470%0.70182%0.824SS**  trans-145.8124.6178.500000111.9V135V135-G137 PolarHBondContact O-N 3.49Å
138K41.8Very low44Very low196 Ų196158.3 Ų158.385%0.85283%0.828SS**  trans-86.8144.5-165.7-73.2168.1175.1167.90114.7
139K48.6Very low43.4Very low198 Ų198158.8 Ų158.886%0.86182%0.822SS**  trans23.5122.8142.4-69.8-179.2171.1179.80119
140T40.6Very low42.7Very low148 Ų148154.8 Ų154.891%0.90881%0.812SS**  -149.7155.5122.144.10000111.7
141N42.8Very low42.1Very low158 Ų158154.3 Ų154.385%0.84581%0.81SS**  trans-77.6137.3-169.6-71.3-15.2000115.5
142R43.2Very low41.5Very low253 Ų253152.5 Ų152.596%0.95581%0.805SS**  -173.2139.9120.7-97.4157.9-174169.52.5107.6
143G37.4Very low40.5Very low79 Ų79157.1 Ų157.181%0.81481%0.811SS**  trans-132.8-163.6-158.800000116.8
144R43.6Very low40.4Very low239 Ų239156.9 Ų156.990%0.90282%0.815SS**  trans102.273.4160.5-154.3-174.3-164.9-148.43.7118.4
145R41Very low39.5Very low248 Ų248156.3 Ų156.394%0.93681%0.814SS**  173.4117.2116.8-99.8172.9162.7168.3-7.6109.9
146S37.8Very low39.7Very low109 Ų109156.1 Ų156.176%0.76282%0.818SS**  trans-123.1125.6174.451.60000109.6
147N34.7Very low39.4Very low177 Ų177154.3 Ų154.395%0.94782%0.819SS**  trans-73.8128.9158.2-100.727.9000107.5
148H31.5Very low39.2Very low170 Ų170154.5 Ų154.579%0.78781%0.809SS**  trans-107.5128173.3-165.1-73.7000108
149I39.8Very low39.2Very low138 Ų138147.8 Ų147.871%0.70879%0.788SS**PPolyproline II helixtrans-76.5125.4169.9-63.8159.8000106.4E151I149-E151 PolarHBondContact O-N 3.34Å
150P41.4Very low39.2Very low99 Ų99145.1 Ų145.164%0.64378%0.782SS**PPolyproline II helixtrans-73.2117169.229.3-29.5000108.6
151E33.2Very low39.8Very low163 Ų163143.1 Ų143.176%0.76277%0.766SS**PPolyproline II helixtrans-84129.3157.3-66-171142.400107I149 E153I149-E151 PolarHBondContact O-N 3.34Å; E151-E153 PolarHBondContact O-N 2.82Å
152E35.5Very low40.4Very low174 Ų174138.1 Ų138.181%0.81374%0.74SS**  trans-75.965.6-177.9-66.8-68.8150.200110.8S154E152-S154 PolarHBondContact O-N 2.91Å; E152-S154 VanDerWaalsContact O-N 3.09Å
153E31.6Very low41Very low153 Ų153130.5 Ų130.572%0.71572%0.715SS**  trans-65.7102.8169.3-71.8-87.4119.800108.8E151 S155E151-E153 PolarHBondContact O-N 2.82Å; E153-S155 VanDerWaalsContact C-N 3.34Å; E153-S155 PolarHBondContact O-N 2.85Å; E153-S155 PolarHBondContact O-OG 3.46Å
154S43.7Very low41.9Very low124 Ų124133 Ų13387%0.86771%0.705SS**  trans-56.389-178-71.70000112.7E152 S156E152-S154 PolarHBondContact O-N 2.91Å; E152-S154 VanDerWaalsContact O-N 3.09Å; S154-S156 PolarHBondContact O-N 3.41Å
155S31.8Very low42.5Very low104 Ų104125.3 Ų125.373%0.72768%0.68SS**  trans-97.783.5-178-620000109.5E153 S157E153-S155 VanDerWaalsContact C-N 3.34Å; E153-S155 PolarHBondContact O-N 2.85Å; E153-S155 PolarHBondContact O-OG 3.46Å; S155-S157 VanDerWaalsContact C-N 3.26Å; S155-S157 PolarHBondContact O-N 3.05Å
156S44.1Very low43.4Very low129 Ų129122.6 Ų122.690%0.90267%0.669SS**  trans-65.887.4169-73.90000110.3S154S154-S156 PolarHBondContact O-N 3.41Å
157S41.2Very low44.4Very low113 Ų113123.2 Ų123.279%0.7966%0.658SS**  trans-11664.4163.4179.70000108.1S155 S159S155-S157 VanDerWaalsContact C-N 3.26Å; S155-S157 PolarHBondContact O-N 3.05Å; S157-S159 PolarHBondContact O-N 2.7Å
158S38.7Very low45.6Very low72 Ų72118.8 Ų118.850%0.50363%0.632SS.*  trans-64.3119.4172.4-172.50000109.4E163S158-E163 VanDerWaalsContact OG-CG 3.3Å; S158-E163 WeakPolarHBondContact OG-CG 3.44Å
159S41Very low47.1Very low56 Ų56112.3 Ų112.339%0.39260%0.604SS.*  trans-70.7142.4155.4-154.40000107.3S157 D161 D162S157-S159 PolarHBondContact O-N 2.7Å; S159-D161 PolarHBondContact O-N 2.98Å; S159-D161 VanDerWaalsContact O-N 3.17Å; S159-D161 PolarHBondContact OG-OD2 2.96Å; S159-D162 WeakPolarHBondContact CB-OD2 3.47Å; S159-D162 PolarHBondContact O-N 3.47Å
160D49.3Very low48.6Very low141 Ų141111 Ų11175%0.75460%0.599SS**Hα-helixtrans-58.6-27.7176.9-69.2-84.4000111.9D162 E163 E164D160-D162 PolarHBondContact O-N 3.27Å; D160-E163 WeakPolarHBondContact O-CB 3.49Å; D160-E163 PolarHBondContact O-N 3.03Å; D160-E164 PolarHBondContact O-N 2.84Å
161D52.4Low50.5Low106 Ų106112.1 Ų112.157%0.56760%0.596SS**Hα-helixtrans-62.7-36.5173.8-42.4-99.7000113.3S159 E163 E164 E165S159-D161 PolarHBondContact O-N 2.98Å; S159-D161 VanDerWaalsContact O-N 3.17Å; S159-D161 PolarHBondContact OG-OD2 2.96Å; D161-E163 VanDerWaalsContact C-N 3.34Å; D161-E164 PolarHBondContact O-N 2.97Å; D161-E165 PolarHBondContact O-N 2.86Å; D161-E165 VanDerWaalsContact O-N 3.09Å
162D54.7Low52.9Low54 Ų54105.2 Ų105.229%0.28956%0.564SS.*Hα-helixtrans-70.9-31.9-179.7-69-58.1000111.9S159 D160 R166 K209S159-D162 WeakPolarHBondContact CB-OD2 3.47Å; S159-D162 PolarHBondContact O-N 3.47Å; D160-D162 PolarHBondContact O-N 3.27Å; D162-R166 VanDerWaalsContact O-CB 3.3Å; D162-R166 WeakPolarHBondContact O-CB 3.39Å; D162-R166 WeakPolarHBondContact O-CD 3.33Å; D162-R166 WeakPolarHBondContact O-CG 3.26Å; D162-R166 PolarHBondContact O-N 3.34Å; D162-K209 WeakPolarHBondContact OD1-CE 3.17Å; D162-K209 IonicContact OD1-NZ 3.77Å; D162-K209 PolarHBondContact OD1-NZ 2.91Å
163E57Low55.4Low92 Ų9298.7 Ų98.743%0.4353%0.534SS..Hα-helixtrans-67.6-41.9173.6-83-95.8129.700111.3S158 D160 D161 K167S158-E163 VanDerWaalsContact OG-CG 3.3Å; S158-E163 WeakPolarHBondContact OG-CG 3.44Å; D160-E163 WeakPolarHBondContact O-CB 3.49Å; D160-E163 PolarHBondContact O-N 3.03Å; D161-E163 VanDerWaalsContact C-N 3.34Å; E163-K167 WeakPolarHBondContact O-CB 3.43Å; E163-K167 VanDerWaalsContact O-CD 3.26Å; E163-K167 WeakPolarHBondContact O-CD 3.43Å; E163-K167 WeakPolarHBondContact O-CG 3.49Å; E163-K167 PolarHBondContact O-N 2.86Å; E163-K167 VanDerWaalsContact OE2-CE 3.27Å; E163-K167 WeakPolarHBondContact OE2-CE 3.29Å; E163-K167 IonicContact OE2-NZ 3.67Å; E163-K167 PolarHBondContact OE2-NZ 2.69Å
164E56.6Low57.9Low131 Ų13191.5 Ų91.561%0.61250%0.501SS*.Hα-helixtrans-72.9-41.7-177.3-161168.7-148.400112.2D160 D161 K167 Q168D160-E164 PolarHBondContact O-N 2.84Å; D161-E164 PolarHBondContact O-N 2.97Å; E164-K167 PolarHBondContact O-N 3.41Å; E164-Q168 WeakPolarHBondContact O-CB 3.2Å; E164-Q168 WeakPolarHBondContact O-CG 3.42Å; E164-Q168 PolarHBondContact O-N 2.91Å
165E55.4Low60Low78 Ų7887.9 Ų87.936%0.36447%0.47SS..Hα-helixtrans-66.4-35.6174-73-173140.500112.9D161 T169 K209D161-E165 PolarHBondContact O-N 2.86Å; D161-E165 VanDerWaalsContact O-N 3.09Å; E165-T169 PolarHBondContact O-N 2.72Å; E165-T169 PolarHBondContact O-OG1 2.8Å; E165-K209 WeakPolarHBondContact OE2-CE 3.44Å; E165-K209 IonicContact OE2-NZ 3.86Å; E165-K209 PolarHBondContact OE2-NZ 2.82Å
166R59.2Low62.8Low191 Ų19183.2 Ų83.272%0.72144%0.436SS*.Hα-helixtrans-65.6-49173.3-78.6176.5-179.2-154.2-0.5111.5D162 Q168 T169 D170D162-R166 VanDerWaalsContact O-CB 3.3Å; D162-R166 WeakPolarHBondContact O-CB 3.39Å; D162-R166 WeakPolarHBondContact O-CD 3.33Å; D162-R166 WeakPolarHBondContact O-CG 3.26Å; D162-R166 PolarHBondContact O-N 3.34Å; R166-Q168 VanDerWaalsContact C-N 3.28Å; R166-Q168 PolarHBondContact O-N 3.27Å; R166-T169 WeakPolarHBondContact O-CA 3.45Å; R166-T169 WeakPolarHBondContact O-CB 3.35Å; R166-T169 PolarHBondContact O-N 3Å; R166-D170 WeakPolarHBondContact O-CB 3.24Å; R166-D170 PolarHBondContact O-N 2.84Å
167K60.4Low65Low122 Ų12277 Ų7753%0.5339%0.394SS..Hα-helixtrans-57.3-41.4176.4-73.2160.9-167162.80112E163 E164 T169 D170 E171E163-K167 WeakPolarHBondContact O-CB 3.43Å; E163-K167 VanDerWaalsContact O-CD 3.26Å; E163-K167 WeakPolarHBondContact O-CD 3.43Å; E163-K167 WeakPolarHBondContact O-CG 3.49Å; E163-K167 PolarHBondContact O-N 2.86Å; E163-K167 VanDerWaalsContact OE2-CE 3.27Å; E163-K167 WeakPolarHBondContact OE2-CE 3.29Å; E163-K167 IonicContact OE2-NZ 3.67Å; E163-K167 PolarHBondContact OE2-NZ 2.69Å; E164-K167 PolarHBondContact O-N 3.41Å; K167-T169 VanDerWaalsContact C-N 3.32Å; K167-T169 PolarHBondContact O-N 3.24Å; K167-D170 PolarHBondContact O-N 3.42Å; K167-E171 PolarHBondContact O-N 2.86Å
168Q58.4Low67.4Low84 Ų8472.1 Ų72.139%0.39336%0.359SS..Hα-helixtrans-65-32.1174.6-83-169.737.500113.7E164 R166 R227E164-Q168 WeakPolarHBondContact O-CB 3.2Å; E164-Q168 WeakPolarHBondContact O-CG 3.42Å; E164-Q168 PolarHBondContact O-N 2.91Å; R166-Q168 VanDerWaalsContact C-N 3.28Å; R166-Q168 PolarHBondContact O-N 3.27Å; Q168-R227 VanDerWaalsContact C-NH1 3.27Å; Q168-R227 PolarHBondContact O-NH1 2.77Å; Q168-R227 PolarHBondContact O-NH2 2.74Å
169T63.9Low69.9Low34 Ų3468.9 Ų68.921%0.20934%0.336CS..Hα-helixtrans-76-42.1176.8-58.90000111.2E165 R166 K167 E171 L172 L173 I212E165-T169 PolarHBondContact O-N 2.72Å; E165-T169 PolarHBondContact O-OG1 2.8Å; R166-T169 WeakPolarHBondContact O-CA 3.45Å; R166-T169 WeakPolarHBondContact O-CB 3.35Å; R166-T169 PolarHBondContact O-N 3Å; K167-T169 VanDerWaalsContact C-N 3.32Å; K167-T169 PolarHBondContact O-N 3.24Å; T169-E171 VanDerWaalsContact C-N 3.33Å; T169-E171 PolarHBondContact O-N 3.02Å; T169-L172 PolarHBondContact O-N 3.23Å; T169-L172 VanDerWaalsContact O-N 3.16Å; T169-L173 PolarHBondContact O-N 3.45Å; T169-I212 HydrophobicContact CG2-CG2 3.95Å
170D70.9Confident72.2Confident111 Ų11169.2 Ų69.259%0.59433%0.334SS*.Hα-helixtrans-57.4-43.5173.4-159.726.5000111.4R166 K167 L172 L173R166-D170 WeakPolarHBondContact O-CB 3.24Å; R166-D170 PolarHBondContact O-N 2.84Å; K167-D170 PolarHBondContact O-N 3.42Å; D170-L172 PolarHBondContact O-N 3.32Å; D170-L172 VanDerWaalsContact O-N 3.13Å; D170-L173 WeakPolarHBondContact O-CB 3.26Å; D170-L173 PolarHBondContact O-N 3.16Å; D170-L173 VanDerWaalsContact O-N 3.08Å
171E81.6Confident74Confident123 Ų12366.6 Ų66.658%0.57531%0.314SS*.THydrogen-bonded Turntrans-61.9-21.7177.6-155.8-146.2133.600114.5K167 T169 K175K167-E171 PolarHBondContact O-N 2.86Å; T169-E171 VanDerWaalsContact C-N 3.33Å; T169-E171 PolarHBondContact O-N 3.02Å; E171-K175 WeakPolarHBondContact O-CD 3.48Å; E171-K175 WeakPolarHBondContact O-CE 3.48Å; E171-K175 PolarHBondContact O-NZ 3.11Å; E171-K175 IonicContact OE1-NZ 3.78Å; E171-K175 PolarHBondContact OE1-NZ 3.17Å; E171-K175 VanDerWaalsContact OE1-NZ 3.15Å
172L84.2Confident75.3Confident18 Ų1866.9 Ų66.99%0.09432%0.319CS..THydrogen-bonded Turntrans-93-13177.2-68.5-172.7000113.6T169 D170 G174 K175 V196T169-L172 PolarHBondContact O-N 3.23Å; T169-L172 VanDerWaalsContact O-N 3.16Å; D170-L172 PolarHBondContact O-N 3.32Å; D170-L172 VanDerWaalsContact O-N 3.13Å; L172-G174 PolarHBondContact O-N 3.49Å; L172-K175 HydrophobicContact CD2-CD 4.02Å; L172-K175 WeakPolarHBondContact O-CB 3.26Å; L172-K175 PolarHBondContact O-N 2.7Å; L172-V196 HydrophobicContact CB-CG1 4.31Å; L172-V196 HydrophobicContact CB-CG2 4.32Å; L172-V196 VanDerWaalsContact O-CB 3.27Å; L172-V196 WeakPolarHBondContact O-CB 3.48Å
173L86.4Confident76.3Confident37 Ų3765 Ų6519%0.19431%0.31CS..THydrogen-bonded Turntrans-57136.6179.1-63.3-177.6000110.6T169 D170 K175 V196 S399T169-L173 PolarHBondContact O-N 3.45Å; D170-L173 WeakPolarHBondContact O-CB 3.26Å; D170-L173 PolarHBondContact O-N 3.16Å; D170-L173 VanDerWaalsContact O-N 3.08Å; L173-K175 PolarHBondContact O-N 2.66Å; L173-K175 VanDerWaalsContact O-N 3.11Å; L173-V196 HydrophobicContact CD2-CG1 4.17Å; L173-S399 CarbonylContact C-O 3.58Å
174G85.1Confident76.9Confident1 Ų168.7 Ų68.71%0.0133%0.332CS..THydrogen-bonded Turntrans73.60.6177.100000114.6L172 V196 R259 S399L172-G174 PolarHBondContact O-N 3.49Å; G174-V196 PolarHBondContact N-O 3.05Å; G174-V196 VanDerWaalsContact N-O 3.13Å; G174-R259 PolarHBondContact O-NH1 3.29Å; G174-S399 WeakPolarHBondContact CA-O 3.22Å; G174-S399 PolarHBondContact N-O 3.17Å
175K88.4Confident77.4Confident49 Ų4970.8 Ų70.821%0.21334%0.342CS..  trans-88.5147.4173.3-61.5-172174.21740112E171 L172 L173 V196 E232E171-K175 WeakPolarHBondContact O-CD 3.48Å; E171-K175 WeakPolarHBondContact O-CE 3.48Å; E171-K175 PolarHBondContact O-NZ 3.11Å; E171-K175 IonicContact OE1-NZ 3.78Å; E171-K175 PolarHBondContact OE1-NZ 3.17Å; E171-K175 VanDerWaalsContact OE1-NZ 3.15Å; L172-K175 HydrophobicContact CD2-CD 4.02Å; L172-K175 WeakPolarHBondContact O-CB 3.26Å; L172-K175 PolarHBondContact O-N 2.7Å; L173-K175 PolarHBondContact O-N 2.66Å; L173-K175 VanDerWaalsContact O-N 3.11Å; K175-V196 PolarHBondContact O-N 2.78Å; K175-V196 VanDerWaalsContact O-N 3.16Å; K175-E232 HydrophobicContact CD-CG 4.31Å; K175-E232 WeakPolarHBondContact CD-OE2 3.4Å; K175-E232 WeakPolarHBondContact CE-OE2 3.29Å; K175-E232 IonicContact NZ-OE1 2.88Å; K175-E232 IonicContact NZ-OE2 3.55Å; K175-E232 PolarHBondContact NZ-OE2 3.08Å
176V90Very high78Confident5 Ų574 Ų743%0.0335%0.354CS..EExtended strand (participates in β ladder)trans-88.1127.6174-1800000109.1F217 I233 A252 F255 H256V176-F217 HydrophobicContact CG1-CE2 3.98Å; V176-F217 HydrophobicContact CG2-CE2 4.22Å; V176-F217 HydrophobicContact CG2-CZ 4.17Å; V176-I233 HydrophobicContact CG1-CD1 3.79Å; V176-I233 HydrophobicContact CG1-CG1 4.22Å; V176-I233 PolarHBondContact O-N 3.44Å; V176-A252 HydrophobicContact CG1-CB 3.81Å; V176-F255 HydrophobicContact CG2-CD1 3.76Å; V176-F255 HydrophobicContact CG2-CE1 4.42Å; V176-H256 HydrophobicContact CG2-CB 4.21Å
177V91.3Very high78.5Confident0 Ų074 Ų740%036%0.36CS..EExtended strand (participates in β ladder)trans-130149.9-172.1-63.20000112.2V179 P193 A194 V196 V214 V230 H231V177-V179 HydrophobicContact CG2-CG2 4.23Å; V177-P193 CarbonylContact O-C 3.56Å; V177-P193 WeakPolarHBondContact O-CA 3.45Å; V177-A194 HydrophobicContact CG2-CB 4.31Å; V177-A194 WeakPolarHBondContact CG2-O 3.45Å; V177-A194 PolarHBondContact N-O 2.96Å; V177-A194 PolarHBondContact O-N 3.38Å; V177-V196 HydrophobicContact CB-CG2 4.32Å; V177-V196 HydrophobicContact CG1-CG2 3.65Å; V177-V196 HydrophobicContact CG2-CG2 3.64Å; V177-V214 HydrophobicContact CG2-CG1 4.44Å; V177-V230 HydrophobicContact CB-CG1 3.52Å; V177-V230 HydrophobicContact CG1-CG1 3.75Å; V177-V230 HydrophobicContact CG2-CG1 3.61Å; V177-H231 CarbonylContact C-O 3.45Å; V177-H231 WeakPolarHBondContact CA-O 3.38Å; V177-H231 WeakPolarHBondContact CB-O 3.4Å
178C90.6Very high79.2Confident9 Ų972.9 Ų72.96%0.06136%0.355CS..EExtended strand (participates in β ladder)trans-87.5129.4161.4-77.10000109W191 V230 H231 I233C178-W191 HydrophobicContact CB-CE3 4.25Å; C178-W191 VanDerWaalsContact SG-CE3 3.51Å; C178-W191 VanDerWaalsContact SG-CZ3 3.5Å; C178-V230 WeakPolarHBondContact O-CA 3.38Å; C178-H231 PolarHBondContact N-O 3.15Å; C178-H231 PolarHBondContact O-N 2.92Å; C178-I233 HydrophobicContact CB-CG1 4.44Å; C178-I233 WeakPolarHBondContact SG-CD1 3.1Å
179V91.8Very high80Confident4 Ų472.5 Ų72.52%0.02437%0.366CS..EExtended strand (participates in β ladder)trans-108.5119.9172.7-174.70000109.4V177 W191 F192 A194 V214 V225 D229 V230V177-V179 HydrophobicContact CG2-CG2 4.23Å; V179-W191 CarbonylContact O-C 3.6Å; V179-W191 WeakPolarHBondContact O-CA 3.47Å; V179-F192 HydrophobicContact CB-CD1 4.19Å; V179-F192 HydrophobicContact CB-CE1 3.75Å; V179-F192 HydrophobicContact CB-CE2 4.09Å; V179-F192 HydrophobicContact CB-CZ 3.7Å; V179-F192 HydrophobicContact CG1-CE1 3.81Å; V179-F192 HydrophobicContact CG1-CZ 3.81Å; V179-F192 HydrophobicContact CG2-CE2 4.16Å; V179-F192 HydrophobicContact CG2-CZ 4.12Å; V179-F192 PolarHBondContact N-O 3.42Å; V179-F192 PolarHBondContact O-N 3.4Å; V179-A194 HydrophobicContact CG2-CB 3.95Å; V179-V214 HydrophobicContact CG2-CG2 4.3Å; V179-V225 HydrophobicContact CG1-CB 3.99Å; V179-V225 HydrophobicContact CG1-CG1 3.92Å; V179-V225 HydrophobicContact CG1-CG2 4.17Å; V179-V225 HydrophobicContact CG2-CG2 4.39Å; V179-D229 WeakPolarHBondContact CA-O 3.5Å; V179-V230 HydrophobicContact CG2-CG2 4.35Å
180D89.8Confident81Confident64 Ų6472.4 Ų72.434%0.34236%0.364SS..EExtended strand (participates in β ladder)trans-82.3141.7174.1-75.9-58.2000111.6D229 H231D180-D229 PolarHBondContact N-O 2.71Å; D180-H231 IonicContact OD2-CE1 2.79Å; D180-H231 PolarHBondContact OD2-CE1 3.42Å; D180-H231 IonicContact OD2-ND1 3.15Å; D180-H231 PolarHBondContact OD2-ND1 2.9Å; D180-H231 VanDerWaalsContact OD2-ND1 3.14Å
181Y86Confident81.9Confident85 Ų8568.8 Ų68.833%0.33334%0.341SS..EExtended strand (participates in β ladder)trans-150.4151.3173.475.8-77.8000112M190 F192Y181-M190 HydrophobicContact CD1-CB 4.01Å; Y181-M190 WeakPolarHBondContact CD1-O 3.46Å; Y181-M190 HydrophobicContact CE1-CB 3.47Å; Y181-M190 VanDerWaalsContact CE1-CB 3.47Å; Y181-M190 HydrophobicContact CE2-CB 4.13Å; Y181-M190 PolarHBondContact N-O 2.7Å; Y181-M190 PolarHBondContact O-N 3.19Å; Y181-F192 AromaticContact CD1-CD1 3.69Å; Y181-F192 HydrophobicContact CD1-CD1 3.69Å; Y181-F192 AromaticContact CD1-CE1 3.95Å; Y181-F192 HydrophobicContact CD1-CE1 3.95Å; Y181-F192 AromaticContact CE1-CD1 3.74Å; Y181-F192 HydrophobicContact CE1-CD1 3.74Å; Y181-F192 HydrophobicContact CE1-CE1 4.36Å
182V80.3Confident82.4Confident112 Ų11264.1 Ų64.168%0.67932%0.32SS*.EExtended strand (participates in β ladder)trans-94115.5178.8-176.30000109.9L184V182-L184 PolarHBondContact O-N 3.39Å
183S75.1Confident82.7Confident15 Ų1563.3 Ų63.311%0.10532%0.315CS..  trans-71115.21731750000110.7E185 K186 K187 K188S183-E185 VanDerWaalsContact C-N 3.27Å; S183-E185 PolarHBondContact O-N 3.27Å; S183-K186 PolarHBondContact O-N 3.46Å; S183-K186 PolarHBondContact OG-N 3.03Å; S183-K187 WeakPolarHBondContact O-CA 3.23Å; S183-K187 PolarHBondContact O-N 2.82Å; S183-K188 PolarHBondContact N-O 3.38Å
184L69.2Low83.1Confident169 Ų16961.5 Ų61.589%0.88531%0.306SS*.THydrogen-bonded Turntrans-57.8-37.5176.1-83120.7000113V182V182-L184 PolarHBondContact O-N 3.39Å
185E68.1Low83.4Confident176 Ų17661.5 Ų61.582%0.82231%0.305SS*.THydrogen-bonded Turntrans-73-44.1-177.6-61.7176.9155.300112.6S183S183-E185 VanDerWaalsContact C-N 3.27Å; S183-E185 PolarHBondContact O-N 3.27Å
186K67.4Low83.5Confident145 Ų14559.1 Ų59.163%0.6330%0.295SS*.THydrogen-bonded Turntrans-101.3-9-170.2-66.4178.4-177.51750113.7S183 K188 M190S183-K186 PolarHBondContact O-N 3.46Å; S183-K186 PolarHBondContact OG-N 3.03Å; K186-K188 HydrophobicContact CB-CB 4.32Å; K186-K188 PolarHBondContact O-N 3.17Å; K186-M190 HydrophobicContact CD-CE 3.83Å
187K70.4Confident83.5Confident190 Ų19059 Ų5983%0.82629%0.294SS*.  trans47.228.3-172.2-61.8-175.5179.3179.80113.4S183S183-K187 WeakPolarHBondContact O-CA 3.23Å; S183-K187 PolarHBondContact O-N 2.82Å
188K75.2Confident83.3Confident100 Ų10059.6 Ų59.644%0.43530%0.299SS..  trans-104.7135.9177.7-164.8-163171.2-171.60107.2S183 K186 M190 D242S183-K188 PolarHBondContact N-O 3.38Å; K186-K188 HydrophobicContact CB-CB 4.32Å; K186-K188 PolarHBondContact O-N 3.17Å; K188-M190 HydrophobicContact CD-CE 4.48Å; K188-M190 PolarHBondContact O-N 2.7Å; K188-D242 IonicContact NZ-OD1 2.88Å; K188-D242 IonicContact NZ-OD2 2.76Å; K188-D242 PolarHBondContact NZ-OD2 3Å
189A74.5Confident83Confident75 Ų7561.4 Ų61.462%0.6231%0.31SS*.EExtended strand (participates in β ladder)trans-60126.6161.300000108.2
190M85.7Confident82.5Confident33 Ų3365.9 Ų65.916%0.16333%0.334CS..EExtended strand (participates in β ladder)trans-123.4156.6174.4-72.7-171.4164.300107.9Y181 K186 K188Y181-M190 HydrophobicContact CD1-CB 4.01Å; Y181-M190 WeakPolarHBondContact CD1-O 3.46Å; Y181-M190 HydrophobicContact CE1-CB 3.47Å; Y181-M190 VanDerWaalsContact CE1-CB 3.47Å; Y181-M190 HydrophobicContact CE2-CB 4.13Å; Y181-M190 PolarHBondContact N-O 2.7Å; Y181-M190 PolarHBondContact O-N 3.19Å; K186-M190 HydrophobicContact CD-CE 3.83Å; K188-M190 HydrophobicContact CD-CE 4.48Å; K188-M190 PolarHBondContact O-N 2.7Å
191W89.4Confident82Confident34 Ų3462.9 Ų62.913%0.12932%0.318CS..EExtended strand (participates in β ladder)trans-136.4159.5176.262.6-90.3000109.9C178 V179 P239 P241 L245 F249C178-W191 HydrophobicContact CB-CE3 4.25Å; C178-W191 VanDerWaalsContact SG-CE3 3.51Å; C178-W191 VanDerWaalsContact SG-CZ3 3.5Å; V179-W191 CarbonylContact O-C 3.6Å; V179-W191 WeakPolarHBondContact O-CA 3.47Å; W191-P239 HydrophobicContact CZ2-CB 3.75Å; W191-P239 HydrophobicContact CZ2-CG 4.25Å; W191-P239 WeakPolarHBondContact CZ2-O 3.39Å; W191-P241 HydrophobicContact CH2-CB 4.09Å; W191-P241 HydrophobicContact CZ2-CB 4.09Å; W191-L245 VanDerWaalsContact O-CD1 3.26Å; W191-L245 WeakPolarHBondContact O-CD1 3.35Å; W191-L245 WeakPolarHBondContact O-CD2 3.25Å; W191-F249 AromaticContact CH2-CD2 3.63Å; W191-F249 HydrophobicContact CH2-CD2 3.63Å; W191-F249 HydrophobicContact CH2-CE2 4.1Å; W191-F249 HydrophobicContact CH2-CG 4.27Å; W191-F249 AromaticContact CZ3-CD2 3.82Å; W191-F249 HydrophobicContact CZ3-CD2 3.82Å; W191-F249 HydrophobicContact CZ3-CE2 4.36Å
192F91.1Very high81.6Confident26 Ų2659.1 Ų59.111%0.11430%0.304CS..EExtended strand (participates in β ladder)trans-140.6145.9170.562.7-82.4000111.3V179 Y181 A194 L245V179-F192 HydrophobicContact CB-CD1 4.19Å; V179-F192 HydrophobicContact CB-CE1 3.75Å; V179-F192 HydrophobicContact CB-CE2 4.09Å; V179-F192 HydrophobicContact CB-CZ 3.7Å; V179-F192 HydrophobicContact CG1-CE1 3.81Å; V179-F192 HydrophobicContact CG1-CZ 3.81Å; V179-F192 HydrophobicContact CG2-CE2 4.16Å; V179-F192 HydrophobicContact CG2-CZ 4.12Å; V179-F192 PolarHBondContact N-O 3.42Å; V179-F192 PolarHBondContact O-N 3.4Å; Y181-F192 AromaticContact CD1-CD1 3.69Å; Y181-F192 HydrophobicContact CD1-CD1 3.69Å; Y181-F192 AromaticContact CD1-CE1 3.95Å; Y181-F192 HydrophobicContact CD1-CE1 3.95Å; Y181-F192 AromaticContact CE1-CD1 3.74Å; Y181-F192 HydrophobicContact CE1-CD1 3.74Å; Y181-F192 HydrophobicContact CE1-CE1 4.36Å; F192-A194 HydrophobicContact CD2-CB 4.16Å; F192-A194 HydrophobicContact CE2-CB 3.94Å; F192-L245 HydrophobicContact CB-CD2 3.94Å
193P91.8Very high81.2Confident0 Ų060.1 Ų60.10%031%0.306CS..EExtended strand (participates in β ladder)trans-73.2137170.828.7-30.7000110.4V177 F217 I233 A248 F249 A252V177-P193 CarbonylContact O-C 3.56Å; V177-P193 WeakPolarHBondContact O-CA 3.45Å; P193-F217 HydrophobicContact CB-CB 4.45Å; P193-F217 HydrophobicContact CB-CD2 4.28Å; P193-F217 HydrophobicContact CG-CB 4.19Å; P193-F217 PolarHBondContact O-N 3.18Å; P193-I233 HydrophobicContact CB-CD1 4.22Å; P193-A248 HydrophobicContact CG-CB 3.99Å; P193-F249 HydrophobicContact CG-CB 4.45Å; P193-A252 HydrophobicContact CB-CB 3.67Å; P193-A252 HydrophobicContact CG-CB 4.3Å
194A93.2Very high81.3Confident0 Ų066.5 Ų66.50%033%0.334CS..EExtended strand (participates in β ladder)trans-143.4162.9177.700000111.2V177 V179 F192 V214 R215V177-A194 HydrophobicContact CG2-CB 4.31Å; V177-A194 WeakPolarHBondContact CG2-O 3.45Å; V177-A194 PolarHBondContact N-O 2.96Å; V177-A194 PolarHBondContact O-N 3.38Å; V179-A194 HydrophobicContact CG2-CB 3.95Å; F192-A194 HydrophobicContact CD2-CB 4.16Å; F192-A194 HydrophobicContact CE2-CB 3.94Å; A194-V214 HydrophobicContact CB-CB 3.82Å; A194-V214 HydrophobicContact CB-CG2 4Å; A194-R215 CarbonylContact C-O 3.48Å; A194-R215 VanDerWaalsContact CA-O 3.3Å; A194-R215 WeakPolarHBondContact CA-O 3.18Å
195L92.1Very high82Confident0 Ų060.5 Ų60.50%030%0.302CS..EExtended strand (participates in β ladder)trans-106.2130.4171.9175.164.7000108.6V197 V214 R215 F217 F255 W265 A400L195-V197 HydrophobicContact CD2-CG1 4.47Å; L195-V197 HydrophobicContact CG-CG1 4.29Å; L195-V214 CarbonylContact O-C 3.52Å; L195-V214 VanDerWaalsContact O-CA 3.23Å; L195-V214 WeakPolarHBondContact O-CA 3.3Å; L195-R215 PolarHBondContact N-O 3.09Å; L195-R215 PolarHBondContact O-N 3.3Å; L195-F217 HydrophobicContact CB-CE2 3.85Å; L195-F217 HydrophobicContact CB-CZ 4.15Å; L195-F255 HydrophobicContact CD1-CD1 4.39Å; L195-F255 HydrophobicContact CD1-CE1 3.64Å; L195-F255 HydrophobicContact CD1-CZ 4.25Å; L195-F255 HydrophobicContact CD2-CE1 3.97Å; L195-F255 HydrophobicContact CD2-CZ 3.8Å; L195-F255 HydrophobicContact CG-CE1 4.43Å; L195-W265 HydrophobicContact CB-CH2 3.88Å; L195-W265 HydrophobicContact CD2-CH2 3.78Å; L195-W265 HydrophobicContact CD2-CZ3 3.77Å; L195-A400 HydrophobicContact CD2-CB 3.9Å
196V91.5Very high82.7Confident0 Ų056.5 Ų56.50%030%0.299CS..EExtended strand (participates in β ladder)trans-78.1136174.5-171.30000109.8L172 L173 G174 K175 V177 I212 V214L172-V196 HydrophobicContact CB-CG1 4.31Å; L172-V196 HydrophobicContact CB-CG2 4.32Å; L172-V196 VanDerWaalsContact O-CB 3.27Å; L172-V196 WeakPolarHBondContact O-CB 3.48Å; L173-V196 HydrophobicContact CD2-CG1 4.17Å; G174-V196 PolarHBondContact N-O 3.05Å; G174-V196 VanDerWaalsContact N-O 3.13Å; K175-V196 PolarHBondContact O-N 2.78Å; K175-V196 VanDerWaalsContact O-N 3.16Å; V177-V196 HydrophobicContact CB-CG2 4.32Å; V177-V196 HydrophobicContact CG1-CG2 3.65Å; V177-V196 HydrophobicContact CG2-CG2 3.64Å; V196-I212 HydrophobicContact CG1-CB 4.45Å; V196-I212 HydrophobicContact CG1-CD1 3.89Å; V196-I212 HydrophobicContact CG2-CD1 3.89Å; V196-V214 HydrophobicContact CG2-CG1 4.22Å
197V90.1Very high83.6Confident1 Ų151.7 Ų51.71%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-135.4158.7-174.8-63.50000110.8L195 L213 R215 F222 Y396L195-V197 HydrophobicContact CD2-CG1 4.47Å; L195-V197 HydrophobicContact CG-CG1 4.29Å; V197-L213 HydrophobicContact CG2-CB 3.95Å; V197-L213 HydrophobicContact CG2-CD2 3.82Å; V197-L213 HydrophobicContact CG2-CG 3.68Å; V197-L213 WeakPolarHBondContact CG2-O 3.38Å; V197-L213 PolarHBondContact N-O 3.49Å; V197-R215 HydrophobicContact CG1-CB 4.44Å; V197-F222 HydrophobicContact CG2-CD1 4.07Å; V197-F222 HydrophobicContact CG2-CE1 4.09Å; V197-Y396 HydrophobicContact CB-CD2 4.41Å; V197-Y396 HydrophobicContact CG1-CD2 3.78Å; V197-Y396 HydrophobicContact CG1-CE2 3.63Å
198C86.6Confident84.3Confident14 Ų1449.7 Ų49.710%0.09527%0.273CS..  trans-62.6136.4176.4-178.40000111D200 C201 E395 S399C198-D200 PolarHBondContact O-N 2.8Å; C198-D200 VanDerWaalsContact O-N 3.13Å; C198-C201 VanDerWaalsContact O-CB 3.28Å; C198-C201 WeakPolarHBondContact O-CB 3.5Å; C198-C201 PolarHBondContact O-N 2.83Å; C198-C201 PolarHBondContact O-SG 2.93Å; C198-E395 HydrophobicContact CB-CG 3.97Å; C198-E395 WeakPolarHBondContact CB-OE1 3.28Å; C198-E395 PolarHBondContact SG-OE1 3.44Å; C198-S399 WeakPolarHBondContact CB-OG 3.4Å; C198-S399 PolarHBondContact N-OG 3.15Å
199P84.5Confident84.6Confident47 Ų4750.8 Ų50.831%0.30528%0.278SS..G310 helixtrans-50-35.2175.2-31.438000114.5C201 S202 V207P199-C201 PolarHBondContact O-N 3.18Å; P199-C201 VanDerWaalsContact O-N 3.07Å; P199-S202 PolarHBondContact O-N 2.78Å; P199-V207 HydrophobicContact CB-CB 4.23Å; P199-V207 HydrophobicContact CB-CG2 3.87Å; P199-V207 HydrophobicContact CG-CB 4.49Å; P199-V207 HydrophobicContact CG-CG1 4.45Å; P199-V207 HydrophobicContact CG-CG2 4.34Å
200D80.1Confident85.2Confident98 Ų9852.3 Ų52.352%0.52428%0.276SS..G310 helixtrans-69.4-4.3-177.6-64.9-12000113.7C198 S202 E395C198-D200 PolarHBondContact O-N 2.8Å; C198-D200 VanDerWaalsContact O-N 3.13Å; D200-S202 PolarHBondContact O-N 2.72Å; D200-E395 HydrophobicContact CB-CG 4.28Å
201C78.9Confident85.5Confident0 Ų052.3 Ų52.30%028%0.276CS..G310 helixtrans-66.3-20171.9-62.50000113.2C198 P199 L213 F319 Y396C198-C201 VanDerWaalsContact O-CB 3.28Å; C198-C201 WeakPolarHBondContact O-CB 3.5Å; C198-C201 PolarHBondContact O-N 2.83Å; C198-C201 PolarHBondContact O-SG 2.93Å; P199-C201 PolarHBondContact O-N 3.18Å; P199-C201 VanDerWaalsContact O-N 3.07Å; C201-L213 HydrophobicContact CB-CD2 4.28Å; C201-F319 HydrophobicContact CB-CE2 4.22Å; C201-F319 HydrophobicContact CB-CZ 4.28Å; C201-F319 VanDerWaalsContact O-CZ 3.28Å; C201-F319 WeakPolarHBondContact O-CZ 3.4Å; C201-Y396 WeakPolarHBondContact SG-CA 3.47Å
202S77.8Confident85.6Confident6 Ų650.8 Ų50.84%0.04227%0.27CS..  trans-145.3100.3-172.7177.60000113.8P199 D200 E204 I205P199-S202 PolarHBondContact O-N 2.78Å; D200-S202 PolarHBondContact O-N 2.72Å; S202-E204 PolarHBondContact O-N 3.37Å; S202-E204 VanDerWaalsContact O-N 3.14Å; S202-I205 PolarHBondContact O-N 3.21Å
203D71.7Confident85.6Confident134 Ų13449.6 Ų49.672%0.71727%0.265SS*.THydrogen-bonded Turntrans-60.9-22.7175.9-48.7-72.2000113.9R323D203-R323 IonicContact OD2-CZ 2.78Å; D203-R323 IonicContact OD2-NH2 2.8Å; D203-R323 PolarHBondContact OD2-NH2 3.06Å
204E79Confident85.7Confident148 Ų14849.6 Ų49.669%0.69227%0.265SS*.THydrogen-bonded Turntrans-76.9-27.1-179.1-172.4174.5-175.600112.8S202S202-E204 PolarHBondContact O-N 3.37Å; S202-E204 VanDerWaalsContact O-N 3.14Å
205I83.2Confident85.6Confident44 Ų4449.6 Ų49.623%0.22627%0.265CS..SBendtrans-106.892.6-170.2-58.9174.1000109.3S202 V207 L213 F222S202-I205 PolarHBondContact O-N 3.21Å; I205-V207 PolarHBondContact O-N 3.03Å; I205-L213 HydrophobicContact CB-CD1 4.16Å; I205-L213 HydrophobicContact CD1-CD1 4.18Å; I205-L213 HydrophobicContact CG2-CD1 3.74Å; I205-F222 HydrophobicContact CD1-CB 3.47Å; I205-F222 VanDerWaalsContact CD1-CB 3.47Å
206A83.3Confident85.6Confident92 Ų9249.8 Ų49.876%0.7627%0.267SS*.  trans-63.2103.8173.500000111.4
207V84.9Confident85.6Confident43 Ų4349.8 Ų49.826%0.26127%0.267SS..  trans-77.5129.9176.2-173.20000109.7P199 I205 N211 L213P199-V207 HydrophobicContact CB-CB 4.23Å; P199-V207 HydrophobicContact CB-CG2 3.87Å; P199-V207 HydrophobicContact CG-CB 4.49Å; P199-V207 HydrophobicContact CG-CG1 4.45Å; P199-V207 HydrophobicContact CG-CG2 4.34Å; I205-V207 PolarHBondContact O-N 3.03Å; V207-N211 HydrophobicContact CG1-CB 4.06Å; V207-N211 WeakPolarHBondContact CG1-O 3.21Å; V207-L213 HydrophobicContact CG2-CB 3.99Å; V207-L213 HydrophobicContact CG2-CD1 4.23Å
208K86.8Confident85.5Confident149 Ų14954.5 Ų54.565%0.64829%0.287SS*.  trans-83.8158.9174.5-63178.8-178.61760110.6D210 N211K208-D210 VanDerWaalsContact C-N 3.29Å; K208-D210 PolarHBondContact O-N 2.57Å; K208-N211 HydrophobicContact CB-CB 4.24Å; K208-N211 WeakPolarHBondContact O-CB 3.3Å; K208-N211 PolarHBondContact O-N 2.98Å
209K81.4Confident85.4Confident122 Ų12257.8 Ų57.853%0.5330%0.304SS..THydrogen-bonded Turntrans-47.2-48.2-179.7-158-164.5-170.2-150.90113.7D162 E165 N211D162-K209 WeakPolarHBondContact OD1-CE 3.17Å; D162-K209 IonicContact OD1-NZ 3.77Å; D162-K209 PolarHBondContact OD1-NZ 2.91Å; E165-K209 WeakPolarHBondContact OE2-CE 3.44Å; E165-K209 IonicContact OE2-NZ 3.86Å; E165-K209 PolarHBondContact OE2-NZ 2.82Å; K209-N211 VanDerWaalsContact C-N 3.28Å; K209-N211 PolarHBondContact O-N 3.44Å
210D86.6Confident85.5Confident108 Ų10855.6 Ų55.658%0.57829%0.289SS*.THydrogen-bonded Turntrans-87.35.6-176.1-33.2-30000113.5K208 R227K208-D210 VanDerWaalsContact C-N 3.29Å; K208-D210 PolarHBondContact O-N 2.57Å; D210-R227 WeakPolarHBondContact O-CB 3.42Å; D210-R227 PolarHBondContact O-N 2.85Å
211N91.5Very high85.8Confident32 Ų3256.9 Ų56.917%0.17129%0.291CS..EExtended strand (participates in β ladder)trans-110.6154.6-179-76.321.1000110.8V207 K208 K209 S224 V225 P226V207-N211 HydrophobicContact CG1-CB 4.06Å; V207-N211 WeakPolarHBondContact CG1-O 3.21Å; K208-N211 HydrophobicContact CB-CB 4.24Å; K208-N211 WeakPolarHBondContact O-CB 3.3Å; K208-N211 PolarHBondContact O-N 2.98Å; K209-N211 VanDerWaalsContact C-N 3.28Å; K209-N211 PolarHBondContact O-N 3.44Å; N211-S224 VanDerWaalsContact CB-OG 3.29Å; N211-S224 WeakPolarHBondContact CB-OG 3.45Å; N211-S224 PolarHBondContact ND2-OG 3.32Å; N211-V225 CarbonylContact C-O 3.49Å; N211-V225 WeakPolarHBondContact CA-O 3.13Å; N211-V225 WeakPolarHBondContact CB-O 3.37Å; N211-P226 WeakPolarHBondContact OD1-CA 3.48Å
212I91.6Very high86.3Confident2 Ų257.6 Ų57.61%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-116.9156.8168.966.1175.1000110T169 V196 V214 S224 V225 R227 V230T169-I212 HydrophobicContact CG2-CG2 3.95Å; V196-I212 HydrophobicContact CG1-CB 4.45Å; V196-I212 HydrophobicContact CG1-CD1 3.89Å; V196-I212 HydrophobicContact CG2-CD1 3.89Å; I212-V214 HydrophobicContact CD1-CG1 4.01Å; I212-V214 HydrophobicContact CG1-CG1 3.99Å; I212-S224 WeakPolarHBondContact O-CA 3.45Å; I212-V225 HydrophobicContact CG1-CG2 3.84Å; I212-V225 PolarHBondContact N-O 3.22Å; I212-V225 PolarHBondContact O-N 3.01Å; I212-R227 HydrophobicContact CG2-CB 4.43Å; I212-V230 HydrophobicContact CD1-CB 4.21Å; I212-V230 HydrophobicContact CD1-CG1 3.9Å; I212-V230 HydrophobicContact CD1-CG2 3.83Å; I212-V230 HydrophobicContact CG1-CG2 4.23Å
213L91.9Very high87Confident1 Ų160.1 Ų60.11%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-89.6130.3170.9-16865.2000109V197 C201 I205 V207 F222V197-L213 HydrophobicContact CG2-CB 3.95Å; V197-L213 HydrophobicContact CG2-CD2 3.82Å; V197-L213 HydrophobicContact CG2-CG 3.68Å; V197-L213 WeakPolarHBondContact CG2-O 3.38Å; V197-L213 PolarHBondContact N-O 3.49Å; C201-L213 HydrophobicContact CB-CD2 4.28Å; I205-L213 HydrophobicContact CB-CD1 4.16Å; I205-L213 HydrophobicContact CD1-CD1 4.18Å; I205-L213 HydrophobicContact CG2-CD1 3.74Å; V207-L213 HydrophobicContact CG2-CB 3.99Å; V207-L213 HydrophobicContact CG2-CD1 4.23Å; L213-F222 HydrophobicContact CD1-CB 4.28Å; L213-F222 HydrophobicContact CD2-CD1 4.39Å; L213-F222 HydrophobicContact CG-CD1 4.49Å
214V92.8Very high88Confident0 Ų055.2 Ų55.20%029%0.285CS..EExtended strand (participates in β ladder)trans-128.4146176.3-59.50000111.2V177 V179 A194 L195 V196 I212 F222 T223 V225V177-V214 HydrophobicContact CG2-CG1 4.44Å; V179-V214 HydrophobicContact CG2-CG2 4.3Å; A194-V214 HydrophobicContact CB-CB 3.82Å; A194-V214 HydrophobicContact CB-CG2 4Å; L195-V214 CarbonylContact O-C 3.52Å; L195-V214 VanDerWaalsContact O-CA 3.23Å; L195-V214 WeakPolarHBondContact O-CA 3.3Å; V196-V214 HydrophobicContact CG2-CG1 4.22Å; I212-V214 HydrophobicContact CD1-CG1 4.01Å; I212-V214 HydrophobicContact CG1-CG1 3.99Å; V214-F222 CarbonylContact O-C 3.6Å; V214-F222 VanDerWaalsContact O-CA 3.29Å; V214-F222 WeakPolarHBondContact O-CA 3.25Å; V214-T223 WeakPolarHBondContact CG2-O 3.44Å; V214-T223 PolarHBondContact N-O 3.24Å; V214-T223 PolarHBondContact O-N 3.39Å; V214-V225 HydrophobicContact CB-CG2 4.44Å; V214-V225 HydrophobicContact CG1-CG2 3.74Å; V214-V225 HydrophobicContact CG2-CB 4.5Å; V214-V225 HydrophobicContact CG2-CG1 3.82Å; V214-V225 HydrophobicContact CG2-CG2 3.8Å
215R91.9Very high88.6Confident0 Ų048.6 Ų48.60%026%0.255CS..EExtended strand (participates in β ladder)trans-102.8116.7168.4-162.9-177.6-173.3-168.62.7109.6A194 L195 V197 G220 K221 F222 W265 D322 Y396A194-R215 CarbonylContact C-O 3.48Å; A194-R215 VanDerWaalsContact CA-O 3.3Å; A194-R215 WeakPolarHBondContact CA-O 3.18Å; L195-R215 PolarHBondContact N-O 3.09Å; L195-R215 PolarHBondContact O-N 3.3Å; V197-R215 HydrophobicContact CG1-CB 4.44Å; R215-G220 WeakPolarHBondContact CG-O 3.44Å; R215-G220 PolarHBondContact NE-O 2.98Å; R215-K221 WeakPolarHBondContact CA-O 3.29Å; R215-F222 HydrophobicContact CB-CD1 3.98Å; R215-F222 HydrophobicContact CB-CE1 3.87Å; R215-F222 HydrophobicContact CG-CD1 4.13Å; R215-F222 HydrophobicContact CG-CE1 3.9Å; R215-F222 HydrophobicContact CG-CZ 4.19Å; R215-W265 HydrophobicContact CB-CZ2 4.49Å; R215-W265 HydrophobicContact CG-CZ2 4.19Å; R215-D322 IonicContact CZ-OD2 3.11Å; R215-D322 IonicContact NE-OD2 2.64Å; R215-D322 IonicContact NH2-OD2 3.14Å; R215-D322 PolarHBondContact NH2-OD2 3.48Å; R215-Y396 PolarHBondContact NH1-OH 2.74Å
216S92Very high89Confident5 Ų548.6 Ų48.64%0.03526%0.257CS..EExtended strand (participates in β ladder)trans-70.2131.1-177.51570000112K218 D219 G220 K221 W265S216-K218 PolarHBondContact O-N 3.07Å; S216-K218 WeakPolarHBondContact OG-CB 3.31Å; S216-K218 PolarHBondContact OG-N 3.07Å; S216-D219 WeakPolarHBondContact CB-OD1 3.43Å; S216-D219 PolarHBondContact OG-N 3.13Å; S216-D219 PolarHBondContact OG-OD1 3.3Å; S216-G220 WeakPolarHBondContact O-CA 3.09Å; S216-G220 PolarHBondContact O-N 2.97Å; S216-K221 PolarHBondContact N-O 3.23Å; S216-W265 PolarHBondContact O-NE1 3.43Å
217F90Very high89.3Confident0 Ų047.2 Ų47.20%023%0.232CC..THydrogen-bonded Turntrans-70.5-23.8171.5-77-87.7000112V176 P193 L195 A248 Q251 A252 F255 P262 N264 W265V176-F217 HydrophobicContact CG1-CE2 3.98Å; V176-F217 HydrophobicContact CG2-CE2 4.22Å; V176-F217 HydrophobicContact CG2-CZ 4.17Å; P193-F217 HydrophobicContact CB-CB 4.45Å; P193-F217 HydrophobicContact CB-CD2 4.28Å; P193-F217 HydrophobicContact CG-CB 4.19Å; P193-F217 PolarHBondContact O-N 3.18Å; L195-F217 HydrophobicContact CB-CE2 3.85Å; L195-F217 HydrophobicContact CB-CZ 4.15Å; F217-A248 HydrophobicContact CB-CB 4.34Å; F217-Q251 HydrophobicContact CD1-CB 4.36Å; F217-A252 HydrophobicContact CB-CB 4.41Å; F217-A252 HydrophobicContact CD1-CB 4.1Å; F217-A252 HydrophobicContact CD2-CB 3.7Å; F217-A252 HydrophobicContact CE1-CB 4.3Å; F217-A252 HydrophobicContact CE2-CB 3.91Å; F217-A252 HydrophobicContact CG-CB 3.81Å; F217-A252 HydrophobicContact CZ-CB 4.22Å; F217-F255 HydrophobicContact CE1-CB 3.75Å; F217-F255 HydrophobicContact CE1-CG 4.07Å; F217-F255 HydrophobicContact CZ-CB 3.87Å; F217-F255 AromaticContact CZ-CD1 3.98Å; F217-F255 HydrophobicContact CZ-CD1 3.98Å; F217-F255 AromaticContact CZ-CG 3.92Å; F217-F255 HydrophobicContact CZ-CG 3.92Å; F217-P262 HydrophobicContact CD1-CG 3.67Å; F217-P262 HydrophobicContact CE1-CG 3.75Å; F217-N264 PolarHBondContact O-ND2 3.09Å; F217-N264 VanDerWaalsContact O-ND2 3.08Å; F217-W265 AromaticContact CD1-CH2 3.89Å; F217-W265 HydrophobicContact CD1-CH2 3.89Å; F217-W265 AromaticContact CD1-CZ2 3.68Å; F217-W265 HydrophobicContact CD1-CZ2 3.68Å; F217-W265 HydrophobicContact CD2-CH2 4.41Å; F217-W265 HydrophobicContact CD2-CZ2 4.27Å; F217-W265 AromaticContact CE1-CH2 3.46Å; F217-W265 HydrophobicContact CE1-CH2 3.46Å; F217-W265 VanDerWaalsContact CE1-CH2 3.46Å; F217-W265 AromaticContact CE1-CZ2 3.78Å; F217-W265 HydrophobicContact CE1-CZ2 3.78Å; F217-W265 HydrophobicContact CE1-CZ3 4.12Å; F217-W265 HydrophobicContact CE2-CH2 4.05Å; F217-W265 HydrophobicContact CE2-CZ2 4.37Å; F217-W265 HydrophobicContact CG-CH2 4.33Å; F217-W265 AromaticContact CG-CZ2 3.93Å; F217-W265 HydrophobicContact CG-CZ2 3.93Å; F217-W265 AromaticContact CZ-CH2 3.55Å; F217-W265 HydrophobicContact CZ-CH2 3.55Å; F217-W265 HydrophobicContact CZ-CZ2 4.13Å; F217-W265 HydrophobicContact CZ-CZ3 4.35Å
218K88.8Confident89.5Confident99 Ų9953 Ų5343%0.4325%0.254SS..THydrogen-bonded Turntrans-70.5-36.8-176.4-179.5-171.9171.8-1660113.6S216 L245 A248S216-K218 PolarHBondContact O-N 3.07Å; S216-K218 WeakPolarHBondContact OG-CB 3.31Å; S216-K218 PolarHBondContact OG-N 3.07Å; K218-L245 HydrophobicContact CD-CD2 4.4Å; K218-A248 HydrophobicContact CB-CB 4.05Å
219D85.6Confident89.6Confident84 Ų8448.2 Ų48.245%0.44924%0.236SC..THydrogen-bonded Turntrans-141.62.4-173.566.4-18.9000114.3S216 K221S216-D219 WeakPolarHBondContact CB-OD1 3.43Å; S216-D219 PolarHBondContact OG-N 3.13Å; S216-D219 PolarHBondContact OG-OD1 3.3Å; D219-K221 PolarHBondContact O-N 3.01Å; D219-K221 WeakPolarHBondContact OD2-CD 3.34Å
220G85.1Confident90Very high0 Ų043.2 Ų43.20%022%0.215CC..  trans78-5.1176.400000115.7R215 S216R215-G220 WeakPolarHBondContact CG-O 3.44Å; R215-G220 PolarHBondContact NE-O 2.98Å; S216-G220 WeakPolarHBondContact O-CA 3.09Å; S216-G220 PolarHBondContact O-N 2.97Å
221K87.5Confident90Very high126 Ų12642.7 Ų42.755%0.54821%0.209SC..  trans-82.2147.8-170.2-63.5-173.5-177.3-179.30113R215 S216 D219R215-K221 WeakPolarHBondContact CA-O 3.29Å; S216-K221 PolarHBondContact N-O 3.23Å; D219-K221 PolarHBondContact O-N 3.01Å; D219-K221 WeakPolarHBondContact OD2-CD 3.34Å
222F89.8Confident89.8Confident15 Ų1545 Ų457%0.06622%0.219CC..EExtended strand (participates in β ladder)trans-76.8142.3167.8-62.7-77.2000110.6V197 I205 L213 V214 R215 F319 D322 Y396V197-F222 HydrophobicContact CG2-CD1 4.07Å; V197-F222 HydrophobicContact CG2-CE1 4.09Å; I205-F222 HydrophobicContact CD1-CB 3.47Å; I205-F222 VanDerWaalsContact CD1-CB 3.47Å; L213-F222 HydrophobicContact CD1-CB 4.28Å; L213-F222 HydrophobicContact CD2-CD1 4.39Å; L213-F222 HydrophobicContact CG-CD1 4.49Å; V214-F222 CarbonylContact O-C 3.6Å; V214-F222 VanDerWaalsContact O-CA 3.29Å; V214-F222 WeakPolarHBondContact O-CA 3.25Å; R215-F222 HydrophobicContact CB-CD1 3.98Å; R215-F222 HydrophobicContact CB-CE1 3.87Å; R215-F222 HydrophobicContact CG-CD1 4.13Å; R215-F222 HydrophobicContact CG-CE1 3.9Å; R215-F222 HydrophobicContact CG-CZ 4.19Å; F222-F319 HydrophobicContact CE1-CE2 4.49Å; F222-F319 HydrophobicContact CE2-CD2 4.12Å; F222-F319 HydrophobicContact CE2-CE2 4.17Å; F222-F319 AromaticContact CZ-CD2 3.72Å; F222-F319 HydrophobicContact CZ-CD2 3.72Å; F222-F319 AromaticContact CZ-CE2 3.64Å; F222-F319 HydrophobicContact CZ-CE2 3.64Å; F222-D322 HydrophobicContact CD2-CB 4.18Å; F222-D322 HydrophobicContact CE2-CB 3.88Å; F222-Y396 HydrophobicContact CE1-CD2 4.39Å; F222-Y396 HydrophobicContact CE1-CE2 4.41Å
223T90.9Very high89.2Confident59 Ų5945.4 Ų45.436%0.36222%0.221SC..EExtended strand (participates in β ladder)trans-150.7137.8177.3-61.10000109.9V214 V225V214-T223 WeakPolarHBondContact CG2-O 3.44Å; V214-T223 PolarHBondContact N-O 3.24Å; V214-T223 PolarHBondContact O-N 3.39Å; T223-V225 HydrophobicContact CG2-CG1 3.75Å
224S93.3Very high88Confident31 Ų3148.7 Ų48.722%0.21724%0.241CC..EExtended strand (participates in β ladder)trans-85.7121.6170.6-172.60000110.1N211 I212N211-S224 VanDerWaalsContact CB-OG 3.29Å; N211-S224 WeakPolarHBondContact CB-OG 3.45Å; N211-S224 PolarHBondContact ND2-OG 3.32Å; I212-S224 WeakPolarHBondContact O-CA 3.45Å
225V92.6Very high86.6Confident9 Ų953.2 Ų53.26%0.05527%0.273CS..EExtended strand (participates in β ladder)trans-127.1143-173.8-58.20000110.8V179 N211 I212 V214 T223 R227 V230V179-V225 HydrophobicContact CG1-CB 3.99Å; V179-V225 HydrophobicContact CG1-CG1 3.92Å; V179-V225 HydrophobicContact CG1-CG2 4.17Å; V179-V225 HydrophobicContact CG2-CG2 4.39Å; N211-V225 CarbonylContact C-O 3.49Å; N211-V225 WeakPolarHBondContact CA-O 3.13Å; N211-V225 WeakPolarHBondContact CB-O 3.37Å; I212-V225 HydrophobicContact CG1-CG2 3.84Å; I212-V225 PolarHBondContact N-O 3.22Å; I212-V225 PolarHBondContact O-N 3.01Å; V214-V225 HydrophobicContact CB-CG2 4.44Å; V214-V225 HydrophobicContact CG1-CG2 3.74Å; V214-V225 HydrophobicContact CG2-CB 4.5Å; V214-V225 HydrophobicContact CG2-CG1 3.82Å; V214-V225 HydrophobicContact CG2-CG2 3.8Å; T223-V225 HydrophobicContact CG2-CG1 3.75Å; V225-R227 PolarHBondContact O-N 3.26Å; V225-V230 HydrophobicContact CG2-CG2 3.68Å
226P91.6Very high84.8Confident43 Ų4360.9 Ų60.928%0.27931%0.314SS..EExtended strand (participates in β ladder)trans-65.9133.8179-19.333.7000111N211 K228 D229N211-P226 WeakPolarHBondContact OD1-CA 3.48Å; P226-K228 HydrophobicContact CB-CG 3.89Å; P226-K228 PolarHBondContact O-N 3.22Å; P226-K228 VanDerWaalsContact O-N 3.12Å; P226-D229 WeakPolarHBondContact CB-OD2 3.15Å; P226-D229 VanDerWaalsContact CG-OD2 3.27Å; P226-D229 WeakPolarHBondContact CG-OD2 3.28Å; P226-D229 PolarHBondContact O-N 2.92Å
227R87.9Confident83.2Confident63 Ų6365 Ų6524%0.23834%0.339CS..G310 helixtrans-54.5-36.8-175.5-175.7-178.1175.677.913.7113.3Q168 D210 I212 V225 D229 V230Q168-R227 VanDerWaalsContact C-NH1 3.27Å; Q168-R227 PolarHBondContact O-NH1 2.77Å; Q168-R227 PolarHBondContact O-NH2 2.74Å; D210-R227 WeakPolarHBondContact O-CB 3.42Å; D210-R227 PolarHBondContact O-N 2.85Å; I212-R227 HydrophobicContact CG2-CB 4.43Å; V225-R227 PolarHBondContact O-N 3.26Å; R227-D229 PolarHBondContact O-N 3.32Å; R227-V230 WeakPolarHBondContact O-CB 3.36Å; R227-V230 PolarHBondContact O-N 2.8Å
228K89Confident81.8Confident164 Ų16467.6 Ų67.671%0.71336%0.355SS*.G310 helixtrans-62.2-17.817757158.7-167.6175.50115.5P226P226-K228 HydrophobicContact CB-CG 3.89Å; P226-K228 PolarHBondContact O-N 3.22Å; P226-K228 VanDerWaalsContact O-N 3.12Å
229D89.9Confident80.8Confident49 Ų4965.4 Ų65.426%0.26235%0.351SS..G310 helixtrans-100.311.5-178.1-54.7-35.3000110.6V179 D180 P226 R227V179-D229 WeakPolarHBondContact CA-O 3.5Å; D180-D229 PolarHBondContact N-O 2.71Å; P226-D229 WeakPolarHBondContact CB-OD2 3.15Å; P226-D229 VanDerWaalsContact CG-OD2 3.27Å; P226-D229 WeakPolarHBondContact CG-OD2 3.28Å; P226-D229 PolarHBondContact O-N 2.92Å; R227-D229 PolarHBondContact O-N 3.32Å
230V90.2Very high80.1Confident17 Ų1770.7 Ų70.710%0.10337%0.37CS..EExtended strand (participates in β ladder)trans-119132.3-173.2-1750000111V177 C178 V179 I212 V225 R227V177-V230 HydrophobicContact CB-CG1 3.52Å; V177-V230 HydrophobicContact CG1-CG1 3.75Å; V177-V230 HydrophobicContact CG2-CG1 3.61Å; C178-V230 WeakPolarHBondContact O-CA 3.38Å; V179-V230 HydrophobicContact CG2-CG2 4.35Å; I212-V230 HydrophobicContact CD1-CB 4.21Å; I212-V230 HydrophobicContact CD1-CG1 3.9Å; I212-V230 HydrophobicContact CD1-CG2 3.83Å; I212-V230 HydrophobicContact CG1-CG2 4.23Å; V225-V230 HydrophobicContact CG2-CG2 3.68Å; R227-V230 WeakPolarHBondContact O-CB 3.36Å; R227-V230 PolarHBondContact O-N 2.8Å
231H87.1Confident79.7Confident97 Ų9772.6 Ų72.645%0.44938%0.382SS..EExtended strand (participates in β ladder)trans-133.3132.5-176.7-56.495.7000110.8V177 C178 D180V177-H231 CarbonylContact C-O 3.45Å; V177-H231 WeakPolarHBondContact CA-O 3.38Å; V177-H231 WeakPolarHBondContact CB-O 3.4Å; C178-H231 PolarHBondContact N-O 3.15Å; C178-H231 PolarHBondContact O-N 2.92Å; D180-H231 IonicContact OD2-CE1 2.79Å; D180-H231 PolarHBondContact OD2-CE1 3.42Å; D180-H231 IonicContact OD2-ND1 3.15Å; D180-H231 PolarHBondContact OD2-ND1 2.9Å; D180-H231 VanDerWaalsContact OD2-ND1 3.14Å
232E85.5Confident79.3Confident82 Ų8270.3 Ų70.338%0.38338%0.376SS..EExtended strand (participates in β ladder)trans-66.5136.8177.4-171.7170.6162.800111.8K175 T234K175-E232 HydrophobicContact CD-CG 4.31Å; K175-E232 WeakPolarHBondContact CD-OE2 3.4Å; K175-E232 WeakPolarHBondContact CE-OE2 3.29Å; K175-E232 IonicContact NZ-OE1 2.88Å; K175-E232 IonicContact NZ-OE2 3.55Å; K175-E232 PolarHBondContact NZ-OE2 3.08Å; E232-T234 VanDerWaalsContact C-N 3.31Å; E232-T234 PolarHBondContact O-N 3.4Å
233I79.9Confident78.9Confident9 Ų974.3 Ų74.35%0.04641%0.411CS..  trans-83.676177.8-49.2-167.9000110.1V176 C178 P193 V238 F249 L253V176-I233 HydrophobicContact CG1-CD1 3.79Å; V176-I233 HydrophobicContact CG1-CG1 4.22Å; V176-I233 PolarHBondContact O-N 3.44Å; C178-I233 HydrophobicContact CB-CG1 4.44Å; C178-I233 WeakPolarHBondContact SG-CD1 3.1Å; P193-I233 HydrophobicContact CB-CD1 4.22Å; I233-V238 HydrophobicContact CG2-CG2 4.23Å; I233-F249 HydrophobicContact CD1-CE2 4.12Å; I233-F249 HydrophobicContact CG2-CE2 4.14Å; I233-F249 HydrophobicContact CG2-CZ 4.45Å; I233-L253 HydrophobicContact CG2-CD2 4.47Å
234T66.3Low78.5Confident71 Ų7177.4 Ų77.444%0.43643%0.43SS..  trans-69.7145.5164.923.90000111.9E232 D236 T237E232-T234 VanDerWaalsContact C-N 3.31Å; E232-T234 PolarHBondContact O-N 3.4Å; T234-D236 PolarHBondContact O-N 3.08Å; T234-T237 PolarHBondContact O-N 2.86Å; T234-T237 VanDerWaalsContact O-N 3.16Å; T234-T237 PolarHBondContact O-OG1 3.35Å; T234-T237 PolarHBondContact OG1-OG1 3.29Å
235S62.8Low78.2Confident95 Ų9576.6 Ų76.666%0.66442%0.423SS*.THydrogen-bonded Turntrans-54.1-29.7-175.3-48.50000114.5
236D56.2Low77.9Confident161 Ų16181.7 Ų81.786%0.86145%0.445SS*.THydrogen-bonded Turntrans-94.6-7.9-173.2-61.3-44.7000114.4T234T234-D236 PolarHBondContact O-N 3.08Å
237T58Low77.8Confident90 Ų9086.4 Ų86.455%0.55246%0.463SS*.  trans-118.118.9-172.751.20000114.2T234 P239T234-T237 PolarHBondContact O-N 2.86Å; T234-T237 VanDerWaalsContact O-N 3.16Å; T234-T237 PolarHBondContact O-OG1 3.35Å; T234-T237 PolarHBondContact OG1-OG1 3.29Å; T237-P239 VanDerWaalsContact O-CD 3.3Å; T237-P239 WeakPolarHBondContact O-CD 3.28Å
238V60.4Low77.8Confident55 Ų5583.7 Ų83.733%0.33345%0.454SS..PPolyproline II helixtrans-63.5117.9-176170.80000112.8I233 F249I233-V238 HydrophobicContact CG2-CG2 4.23Å; V238-F249 HydrophobicContact CB-CZ 4.17Å; V238-F249 HydrophobicContact CG1-CE1 3.69Å; V238-F249 HydrophobicContact CG1-CE2 4.03Å; V238-F249 HydrophobicContact CG1-CZ 3.22Å; V238-F249 HydrophobicContact CG2-CZ 3.88Å
239P66.3Low77.8Confident54 Ų5476.3 Ų76.335%0.35142%0.422SS..PPolyproline II helixtrans-69.5139.7167-9.625.9000109.7W191 T237 P241W191-P239 HydrophobicContact CZ2-CB 3.75Å; W191-P239 HydrophobicContact CZ2-CG 4.25Å; W191-P239 WeakPolarHBondContact CZ2-O 3.39Å; T237-P239 VanDerWaalsContact O-CD 3.3Å; T237-P239 WeakPolarHBondContact O-CD 3.28Å; P239-P241 VanDerWaalsContact O-CD 3.28Å; P239-P241 WeakPolarHBondContact O-CD 3.41Å
240K72.3Confident77.7Confident195 Ų19577.5 Ų77.585%0.84843%0.428SS*.PPolyproline II helixtrans-63.7119176.2-73.4178.4179.91750109.9
241P76.4Confident77.7Confident39 Ų3978.2 Ų78.225%0.25343%0.431SS..PPolyproline II helixtrans-70.1136.718027.5-33.8000111.2W191 P239 L245 K246 F249W191-P241 HydrophobicContact CH2-CB 4.09Å; W191-P241 HydrophobicContact CZ2-CB 4.09Å; P239-P241 VanDerWaalsContact O-CD 3.28Å; P239-P241 WeakPolarHBondContact O-CD 3.41Å; P241-L245 HydrophobicContact CB-CB 4.22Å; P241-K246 HydrophobicContact CG-CB 4.4Å; P241-K246 HydrophobicContact CG-CG 4.39Å; P241-F249 HydrophobicContact CB-CB 4.14Å; P241-F249 HydrophobicContact CB-CG 4.34Å; P241-F249 HydrophobicContact CG-CB 4.26Å; P241-F249 HydrophobicContact CG-CD1 3.96Å; P241-F249 HydrophobicContact CG-CG 4.18Å
242D79Confident77.8Confident79 Ų7973.7 Ų73.742%0.42241%0.41SS..PPolyproline II helixtrans-59.6152.1164.7-80.3-23000108.8K188 V244 L245 K246K188-D242 IonicContact NZ-OD1 2.88Å; K188-D242 IonicContact NZ-OD2 2.76Å; K188-D242 PolarHBondContact NZ-OD2 3Å; D242-V244 PolarHBondContact O-N 3.29Å; D242-L245 WeakPolarHBondContact O-CA 3.46Å; D242-L245 PolarHBondContact O-N 2.75Å; D242-K246 PolarHBondContact O-N 3.26Å; D242-K246 VanDerWaalsContact O-N 3.15Å
243A81.1Confident77.9Confident98 Ų9871.9 Ų71.981%0.8140%0.402SS*.THydrogen-bonded Turntrans-54.6-28.6-17200000115
244V83.3Confident78.3Confident124 Ų12476.7 Ų76.775%0.75243%0.425SS*.THydrogen-bonded Turntrans-74.4-27.3176.9-177.40000112.7D242D242-V244 PolarHBondContact O-N 3.29Å
245L86.1Confident79.3Confident14 Ų1473.3 Ų73.37%0.07340%0.404CS..THydrogen-bonded Turntrans-94.7-14.4-178.9-86.7145.6000113W191 F192 K218 P241 D242 Q247 A248 F249W191-L245 VanDerWaalsContact O-CD1 3.26Å; W191-L245 WeakPolarHBondContact O-CD1 3.35Å; W191-L245 WeakPolarHBondContact O-CD2 3.25Å; F192-L245 HydrophobicContact CB-CD2 3.94Å; K218-L245 HydrophobicContact CD-CD2 4.4Å; P241-L245 HydrophobicContact CB-CB 4.22Å; D242-L245 WeakPolarHBondContact O-CA 3.46Å; D242-L245 PolarHBondContact O-N 2.75Å; L245-Q247 PolarHBondContact O-N 2.86Å; L245-A248 PolarHBondContact O-N 3.16Å; L245-F249 WeakPolarHBondContact O-CB 3.5Å; L245-F249 PolarHBondContact O-N 2.9Å
246K86.5Confident80.3Confident117 Ų11773.2 Ų73.251%0.50939%0.393SS..Hα-helixtrans-54.1-48.3-175.7-170.7-172.9172.7-167.40112.7P241 D242 A248 F249 D250P241-K246 HydrophobicContact CG-CB 4.4Å; P241-K246 HydrophobicContact CG-CG 4.39Å; D242-K246 PolarHBondContact O-N 3.26Å; D242-K246 VanDerWaalsContact O-N 3.15Å; K246-A248 PolarHBondContact O-N 2.97Å; K246-F249 PolarHBondContact O-N 3.18Å; K246-D250 WeakPolarHBondContact CE-OD2 3.33Å; K246-D250 VanDerWaalsContact O-CG 3.24Å; K246-D250 PolarHBondContact O-N 3.27Å
247Q89.4Confident81.7Confident142 Ų14273.6 Ų73.666%0.66439%0.387SS*.Hα-helixtrans-60.5-46.5179.8-178179.40.900112.5L245 F249 D250 Q251L245-Q247 PolarHBondContact O-N 2.86Å; Q247-F249 VanDerWaalsContact C-N 3.25Å; Q247-F249 PolarHBondContact O-N 2.99Å; Q247-D250 PolarHBondContact O-N 3.1Å; Q247-Q251 WeakPolarHBondContact O-CG 2.9Å; Q247-Q251 PolarHBondContact O-N 3.41Å
248A88.9Confident82.9Confident6 Ų672.9 Ų72.95%0.0539%0.386CS..Hα-helixtrans-64.5-32.6177.800000112.2P193 F217 K218 L245 K246 A252P193-A248 HydrophobicContact CG-CB 3.99Å; F217-A248 HydrophobicContact CB-CB 4.34Å; K218-A248 HydrophobicContact CB-CB 4.05Å; L245-A248 PolarHBondContact O-N 3.16Å; K246-A248 PolarHBondContact O-N 2.97Å; A248-A252 WeakPolarHBondContact O-CB 3.49Å; A248-A252 PolarHBondContact O-N 3.41Å
249F88.7Confident84Confident8 Ų875 Ų754%0.03539%0.388CS..Hα-helixtrans-74-42.4176.7-176.2-98.3000112.5W191 P193 I233 V238 P241 L245 K246 Q247 Q251 A252 L253W191-F249 AromaticContact CH2-CD2 3.63Å; W191-F249 HydrophobicContact CH2-CD2 3.63Å; W191-F249 HydrophobicContact CH2-CE2 4.1Å; W191-F249 HydrophobicContact CH2-CG 4.27Å; W191-F249 AromaticContact CZ3-CD2 3.82Å; W191-F249 HydrophobicContact CZ3-CD2 3.82Å; W191-F249 HydrophobicContact CZ3-CE2 4.36Å; P193-F249 HydrophobicContact CG-CB 4.45Å; I233-F249 HydrophobicContact CD1-CE2 4.12Å; I233-F249 HydrophobicContact CG2-CE2 4.14Å; I233-F249 HydrophobicContact CG2-CZ 4.45Å; V238-F249 HydrophobicContact CB-CZ 4.17Å; V238-F249 HydrophobicContact CG1-CE1 3.69Å; V238-F249 HydrophobicContact CG1-CE2 4.03Å; V238-F249 HydrophobicContact CG1-CZ 3.22Å; V238-F249 HydrophobicContact CG2-CZ 3.88Å; P241-F249 HydrophobicContact CB-CB 4.14Å; P241-F249 HydrophobicContact CB-CG 4.34Å; P241-F249 HydrophobicContact CG-CB 4.26Å; P241-F249 HydrophobicContact CG-CD1 3.96Å; P241-F249 HydrophobicContact CG-CG 4.18Å; L245-F249 WeakPolarHBondContact O-CB 3.5Å; L245-F249 PolarHBondContact O-N 2.9Å; K246-F249 PolarHBondContact O-N 3.18Å; Q247-F249 VanDerWaalsContact C-N 3.25Å; Q247-F249 PolarHBondContact O-N 2.99Å; F249-Q251 VanDerWaalsContact C-N 3.32Å; F249-Q251 PolarHBondContact O-N 3.25Å; F249-A252 PolarHBondContact O-N 3.12Å; F249-L253 HydrophobicContact CD1-CD1 4.09Å; F249-L253 HydrophobicContact CD1-CG 4.4Å; F249-L253 HydrophobicContact CE1-CD1 3.38Å; F249-L253 HydrophobicContact CE1-CD2 4.46Å; F249-L253 HydrophobicContact CE1-CG 3.82Å; F249-L253 HydrophobicContact CZ-CD1 3.82Å; F249-L253 HydrophobicContact CZ-CD2 4.06Å; F249-L253 HydrophobicContact CZ-CG 3.85Å; F249-L253 PolarHBondContact O-N 3.4Å
250D87.9Confident84.8Confident74 Ų7474.3 Ų74.340%0.39639%0.386SS..Hα-helixtrans-60.7-43174.5-66.9-23.9000110.2K246 Q247 L253 E254K246-D250 WeakPolarHBondContact CE-OD2 3.33Å; K246-D250 VanDerWaalsContact O-CG 3.24Å; K246-D250 PolarHBondContact O-N 3.27Å; Q247-D250 PolarHBondContact O-N 3.1Å; D250-L253 PolarHBondContact O-N 3.3Å; D250-E254 PolarHBondContact O-N 3.22Å
251Q90.3Very high85.3Confident33 Ų3366.1 Ų66.115%0.15435%0.352CS..Hα-helixtrans-61.7-41172.7-74.1174.6-29.700113.4F217 Q247 F249 E254 F255 P262 N264F217-Q251 HydrophobicContact CD1-CB 4.36Å; Q247-Q251 WeakPolarHBondContact O-CG 2.9Å; Q247-Q251 PolarHBondContact O-N 3.41Å; F249-Q251 VanDerWaalsContact C-N 3.32Å; F249-Q251 PolarHBondContact O-N 3.25Å; Q251-E254 PolarHBondContact O-N 3.27Å; Q251-F255 PolarHBondContact O-N 2.79Å; Q251-P262 HydrophobicContact CB-CG 4.34Å; Q251-N264 PolarHBondContact NE2-OD1 3.04Å
252A88.4Confident85.6Confident1 Ų164.7 Ų64.71%0.00834%0.342CS..Hα-helixtrans-66.3-38.2178.300000112.1V176 P193 F217 A248 F249 H256V176-A252 HydrophobicContact CG1-CB 3.81Å; P193-A252 HydrophobicContact CB-CB 3.67Å; P193-A252 HydrophobicContact CG-CB 4.3Å; F217-A252 HydrophobicContact CB-CB 4.41Å; F217-A252 HydrophobicContact CD1-CB 4.1Å; F217-A252 HydrophobicContact CD2-CB 3.7Å; F217-A252 HydrophobicContact CE1-CB 4.3Å; F217-A252 HydrophobicContact CE2-CB 3.91Å; F217-A252 HydrophobicContact CG-CB 3.81Å; F217-A252 HydrophobicContact CZ-CB 4.22Å; A248-A252 WeakPolarHBondContact O-CB 3.49Å; A248-A252 PolarHBondContact O-N 3.41Å; F249-A252 PolarHBondContact O-N 3.12Å; A252-H256 WeakPolarHBondContact O-CB 3.47Å; A252-H256 PolarHBondContact O-N 3.12Å
253L86.9Confident85.7Confident44 Ų4464.7 Ų64.723%0.2335%0.353CS..Hα-helixtrans-67.9-34.1171.7-74.1-176.9000112.9I233 F249 D250 K257I233-L253 HydrophobicContact CG2-CD2 4.47Å; F249-L253 HydrophobicContact CD1-CD1 4.09Å; F249-L253 HydrophobicContact CD1-CG 4.4Å; F249-L253 HydrophobicContact CE1-CD1 3.38Å; F249-L253 HydrophobicContact CE1-CD2 4.46Å; F249-L253 HydrophobicContact CE1-CG 3.82Å; F249-L253 HydrophobicContact CZ-CD1 3.82Å; F249-L253 HydrophobicContact CZ-CD2 4.06Å; F249-L253 HydrophobicContact CZ-CG 3.85Å; F249-L253 PolarHBondContact O-N 3.4Å; D250-L253 PolarHBondContact O-N 3.3Å; L253-K257 VanDerWaalsContact O-CG 3.27Å; L253-K257 WeakPolarHBondContact O-CG 3.49Å; L253-K257 PolarHBondContact O-N 2.95Å; L253-K257 VanDerWaalsContact O-N 3.16Å
254E88.1Confident85.5Confident111 Ų11162.5 Ų62.552%0.51933%0.328SS..Hα-helixtrans-67.2-48.8175.6-164.9174.1-17100110.7D250 Q251 H256 K257 S258 A260D250-E254 PolarHBondContact O-N 3.22Å; Q251-E254 PolarHBondContact O-N 3.27Å; E254-H256 VanDerWaalsContact C-N 3.3Å; E254-H256 PolarHBondContact O-N 3.33Å; E254-K257 PolarHBondContact O-N 2.99Å; E254-S258 PolarHBondContact O-N 3.23Å; E254-S258 PolarHBondContact O-OG 2.65Å; E254-S258 VanDerWaalsContact O-OG 3.05Å; E254-A260 HydrophobicContact CG-CB 4.2Å
255F87.8Confident85.4Confident0 Ų056.6 Ų56.60%029%0.292CS..Hα-helixtrans-56.6-41.6173.3-174.6-89000112.2V176 L195 F217 Q251 K257 R259 W265 I402V176-F255 HydrophobicContact CG2-CD1 3.76Å; V176-F255 HydrophobicContact CG2-CE1 4.42Å; L195-F255 HydrophobicContact CD1-CD1 4.39Å; L195-F255 HydrophobicContact CD1-CE1 3.64Å; L195-F255 HydrophobicContact CD1-CZ 4.25Å; L195-F255 HydrophobicContact CD2-CE1 3.97Å; L195-F255 HydrophobicContact CD2-CZ 3.8Å; L195-F255 HydrophobicContact CG-CE1 4.43Å; F217-F255 HydrophobicContact CE1-CB 3.75Å; F217-F255 HydrophobicContact CE1-CG 4.07Å; F217-F255 HydrophobicContact CZ-CB 3.87Å; F217-F255 AromaticContact CZ-CD1 3.98Å; F217-F255 HydrophobicContact CZ-CD1 3.98Å; F217-F255 AromaticContact CZ-CG 3.92Å; F217-F255 HydrophobicContact CZ-CG 3.92Å; Q251-F255 PolarHBondContact O-N 2.79Å; F255-K257 VanDerWaalsContact C-N 3.28Å; F255-K257 PolarHBondContact O-N 2.82Å; F255-R259 WeakPolarHBondContact O-CA 3.45Å; F255-R259 PolarHBondContact O-N 3.14Å; F255-W265 HydrophobicContact CE2-CZ3 4.39Å; F255-I402 HydrophobicContact CE2-CD1 4.1Å; F255-I402 HydrophobicContact CE2-CG1 4.12Å; F255-I402 HydrophobicContact CZ-CD1 4.26Å; F255-I402 HydrophobicContact CZ-CG1 4.07Å
256H84.5Confident85.2Confident92 Ų9258.8 Ų58.843%0.42630%0.301SS..Hα-helixtrans-62-32.8174.8-177.4-67.6000113V176 A252 E254V176-H256 HydrophobicContact CG2-CB 4.21Å; A252-H256 WeakPolarHBondContact O-CB 3.47Å; A252-H256 PolarHBondContact O-N 3.12Å; E254-H256 VanDerWaalsContact C-N 3.3Å; E254-H256 PolarHBondContact O-N 3.33Å
257K84.8Confident84.8Confident169 Ų16954.7 Ų54.774%0.73529%0.286SS*.Hα-helixtrans-88-40.9-175.3-74.5170.7-177.4175.10114L253 E254 F255L253-K257 VanDerWaalsContact O-CG 3.27Å; L253-K257 WeakPolarHBondContact O-CG 3.49Å; L253-K257 PolarHBondContact O-N 2.95Å; L253-K257 VanDerWaalsContact O-N 3.16Å; E254-K257 PolarHBondContact O-N 2.99Å; F255-K257 VanDerWaalsContact C-N 3.28Å; F255-K257 PolarHBondContact O-N 2.82Å
258S83.9Confident83.8Confident76 Ų7656.8 Ų56.853%0.53130%0.296SS..Hα-helixtrans-127.81.7-169.958.60000113.8E254 A260E254-S258 PolarHBondContact O-N 3.23Å; E254-S258 PolarHBondContact O-OG 2.65Å; E254-S258 VanDerWaalsContact O-OG 3.05Å; S258-A260 PolarHBondContact O-N 3.38Å; S258-A260 WeakPolarHBondContact OG-CB 3.22Å
259R83.4Confident82.6Confident100 Ų10059.9 Ų59.938%0.37731%0.311SS..  trans54.917.8-170-61.1-70.5177170-6.8113.7G174 F255 I261 A400G174-R259 PolarHBondContact O-NH1 3.29Å; F255-R259 WeakPolarHBondContact O-CA 3.45Å; F255-R259 PolarHBondContact O-N 3.14Å; R259-I261 PolarHBondContact O-N 3.21Å; R259-A400 PolarHBondContact NH1-O 3.15Å
260A82.5Confident80.5Confident39 Ų3966.9 Ų66.932%0.32234%0.341SS..PPolyproline II helixtrans-63.9120.317900000111.4E254 S258 P262E254-A260 HydrophobicContact CG-CB 4.2Å; S258-A260 PolarHBondContact O-N 3.38Å; S258-A260 WeakPolarHBondContact OG-CB 3.22Å; A260-P262 WeakPolarHBondContact O-CD 3.45Å
261I82.6Confident78.4Confident23 Ų2371.6 Ų71.612%0.11836%0.361CS..PPolyproline II helixtrans-73.1124.6-178.3-63.4154.7000110R259 W265 K266 Q315 I402R259-I261 PolarHBondContact O-N 3.21Å; I261-W265 HydrophobicContact CG2-CB 3.86Å; I261-W265 HydrophobicContact CG2-CE3 4.36Å; I261-K266 HydrophobicContact CG2-CG 4.11Å; I261-K266 WeakPolarHBondContact O-CE 3.08Å; I261-Q315 HydrophobicContact CG2-CG 4.4Å; I261-I402 HydrophobicContact CD1-CG2 4.02Å; I261-I402 HydrophobicContact CG1-CD1 4.4Å
262P84.2Confident75.7Confident9 Ų976 Ų766%0.05839%0.385CS..PPolyproline II helixtrans-55145.2176.6-25.733.2000113.7F217 Q251 A260 N264 W265F217-P262 HydrophobicContact CD1-CG 3.67Å; F217-P262 HydrophobicContact CE1-CG 3.75Å; Q251-P262 HydrophobicContact CB-CG 4.34Å; A260-P262 WeakPolarHBondContact O-CD 3.45Å; P262-N264 VanDerWaalsContact C-N 3.27Å; P262-N264 WeakPolarHBondContact CB-OD1 3.42Å; P262-N264 PolarHBondContact O-N 3.33Å; P262-W265 HydrophobicContact CB-CD2 4.38Å; P262-W265 HydrophobicContact CB-CG 4.25Å; P262-W265 HydrophobicContact CG-CD2 4Å; P262-W265 HydrophobicContact CG-CE3 4.19Å; P262-W265 HydrophobicContact CG-CG 4.39Å; P262-W265 WeakPolarHBondContact O-CB 3.49Å; P262-W265 PolarHBondContact O-N 2.95Å
263A79.4Confident73.5Confident78 Ų7879.7 Ų79.765%0.64541%0.411SS*.G310 helixtrans-59.3-35.2179.800000113.2W265 K266A263-W265 PolarHBondContact O-N 3.04Å; A263-W265 VanDerWaalsContact O-N 3.17Å; A263-K266 PolarHBondContact O-N 3.06Å; A263-K266 VanDerWaalsContact O-N 3.1Å
264N78.3Confident71.2Confident52 Ų5282.6 Ų82.628%0.27844%0.435SS..G310 helixtrans-68.8-6.5174.855.6-50.3000114.3F217 Q251 P262F217-N264 PolarHBondContact O-ND2 3.09Å; F217-N264 VanDerWaalsContact O-ND2 3.08Å; Q251-N264 PolarHBondContact NE2-OD1 3.04Å; P262-N264 VanDerWaalsContact C-N 3.27Å; P262-N264 WeakPolarHBondContact CB-OD1 3.42Å; P262-N264 PolarHBondContact O-N 3.33Å
265W81.6Confident68.6Low0 Ų082.9 Ų82.90%045%0.449CS..G310 helixtrans-100.77173.1-64.74.5000112.8L195 R215 S216 F217 F255 I261 P262 A263 K318 Y396L195-W265 HydrophobicContact CB-CH2 3.88Å; L195-W265 HydrophobicContact CD2-CH2 3.78Å; L195-W265 HydrophobicContact CD2-CZ3 3.77Å; R215-W265 HydrophobicContact CB-CZ2 4.49Å; R215-W265 HydrophobicContact CG-CZ2 4.19Å; S216-W265 PolarHBondContact O-NE1 3.43Å; F217-W265 AromaticContact CD1-CH2 3.89Å; F217-W265 HydrophobicContact CD1-CH2 3.89Å; F217-W265 AromaticContact CD1-CZ2 3.68Å; F217-W265 HydrophobicContact CD1-CZ2 3.68Å; F217-W265 HydrophobicContact CD2-CH2 4.41Å; F217-W265 HydrophobicContact CD2-CZ2 4.27Å; F217-W265 AromaticContact CE1-CH2 3.46Å; F217-W265 HydrophobicContact CE1-CH2 3.46Å; F217-W265 VanDerWaalsContact CE1-CH2 3.46Å; F217-W265 AromaticContact CE1-CZ2 3.78Å; F217-W265 HydrophobicContact CE1-CZ2 3.78Å; F217-W265 HydrophobicContact CE1-CZ3 4.12Å; F217-W265 HydrophobicContact CE2-CH2 4.05Å; F217-W265 HydrophobicContact CE2-CZ2 4.37Å; F217-W265 HydrophobicContact CG-CH2 4.33Å; F217-W265 AromaticContact CG-CZ2 3.93Å; F217-W265 HydrophobicContact CG-CZ2 3.93Å; F217-W265 AromaticContact CZ-CH2 3.55Å; F217-W265 HydrophobicContact CZ-CH2 3.55Å; F217-W265 HydrophobicContact CZ-CZ2 4.13Å; F217-W265 HydrophobicContact CZ-CZ3 4.35Å; F255-W265 HydrophobicContact CE2-CZ3 4.39Å; I261-W265 HydrophobicContact CG2-CB 3.86Å; I261-W265 HydrophobicContact CG2-CE3 4.36Å; P262-W265 HydrophobicContact CB-CD2 4.38Å; P262-W265 HydrophobicContact CB-CG 4.25Å; P262-W265 HydrophobicContact CG-CD2 4Å; P262-W265 HydrophobicContact CG-CE3 4.19Å; P262-W265 HydrophobicContact CG-CG 4.39Å; P262-W265 WeakPolarHBondContact O-CB 3.49Å; P262-W265 PolarHBondContact O-N 2.95Å; A263-W265 PolarHBondContact O-N 3.04Å; A263-W265 VanDerWaalsContact O-N 3.17Å; W265-K318 WeakPolarHBondContact O-CB 3.33Å; W265-Y396 WeakPolarHBondContact CZ3-OH 3.4Å
266K80.3Confident65.7Low61 Ų6188.1 Ų88.127%0.26549%0.486SS..SBendtrans-119.7139.9177.3-60179.2-174.4-171.90108.8I261 A263 N311 Q314I261-K266 HydrophobicContact CG2-CG 4.11Å; I261-K266 WeakPolarHBondContact O-CE 3.08Å; A263-K266 PolarHBondContact O-N 3.06Å; A263-K266 VanDerWaalsContact O-N 3.1Å; K266-N311 WeakPolarHBondContact CD-ND2 3.4Å; K266-N311 WeakPolarHBondContact CE-ND2 3.43Å; K266-N311 PolarHBondContact NZ-ND2 3.44Å; K266-Q314 HydrophobicContact CB-CB 4.06Å
267T78.6Confident63.2Low31 Ų3193.8 Ų93.819%0.1951%0.513CS..  trans-84.7144167.948.80000110.7L269 Q314 K318T267-L269 PolarHBondContact O-N 3.49Å; T267-L269 VanDerWaalsContact O-N 3.11Å; T267-Q314 PolarHBondContact N-O 2.81Å; T267-Q314 VanDerWaalsContact O-CG 3.25Å; T267-Q314 WeakPolarHBondContact O-CG 3.43Å; T267-Q314 PolarHBondContact OG1-O 3.48Å; T267-K318 HydrophobicContact CG2-CB 3.94Å; T267-K318 HydrophobicContact CG2-CD 3.78Å; T267-K318 HydrophobicContact CG2-CG 4.49Å
268E69.5Low61Low186 Ų18689.5 Ų89.587%0.86951%0.509SS*.  trans-67.8106.5161.4-69.2177.8-173.700108.9K270E268-K270 PolarHBondContact O-N 2.91Å
269L61.9Low58.6Low70 Ų7094.7 Ų94.737%0.36653%0.525SS..  trans-77.6108.9165.5-67.9173.4000107T267 L313 Q314T267-L269 PolarHBondContact O-N 3.49Å; T267-L269 VanDerWaalsContact O-N 3.11Å; L269-L313 HydrophobicContact CD1-CB 3.91Å; L269-Q314 HydrophobicContact CD1-CG 3.7Å; L269-Q314 HydrophobicContact CG-CG 3.86Å
270K46.3Very low56.3Low156 Ų15699.4 Ų99.468%0.67855%0.551SS**  trans-67132.8170-71.2-172.5165.5-157.70109.7E268 D272E268-K270 PolarHBondContact O-N 2.91Å; K270-D272 HydrophobicContact CB-CB 4.47Å; K270-D272 WeakPolarHBondContact CD-OD2 3.35Å; K270-D272 PolarHBondContact O-N 2.92Å; K270-D272 VanDerWaalsContact O-N 3.17Å
271E43.2Very low53.9Low172 Ų172107 Ų10780%0.80458%0.58SS**SBendtrans-68.2-9.1-179.7-64.8178.6151.800113.2S273 S274E271-S273 PolarHBondContact O-N 2.78Å; E271-S274 PolarHBondContact O-N 3.27Å
272D32.5Very low51.7Low126 Ų126115 Ų11567%0.67462%0.617SS**THydrogen-bonded Turntrans-60.730.4178.2-44.1-28000115.1K270K270-D272 HydrophobicContact CB-CB 4.47Å; K270-D272 WeakPolarHBondContact CD-OD2 3.35Å; K270-D272 PolarHBondContact O-N 2.92Å; K270-D272 VanDerWaalsContact O-N 3.17Å
273S42.7Very low49.3Very low78 Ų78123.5 Ų123.555%0.54566%0.656SS.*THydrogen-bonded Turntrans-145.932.4176.9-63.30000113E271 R330E271-S273 PolarHBondContact O-N 2.78Å; S273-R330 PolarHBondContact O-NH2 2.92Å
274S39.7Very low47.2Very low106 Ų106128.1 Ų128.174%0.74166%0.664SS**SBendtrans-141.5133.1158.5-153.40000109.4E271E271-S274 PolarHBondContact O-N 3.27Å
275S33.3Very low45.1Very low116 Ų116133.9 Ų133.981%0.81169%0.689SS**SBendtrans66.877.2173.6-172.90000119.1
276S27.1Very low42.7Very low111 Ų111140.9 Ų140.978%0.77673%0.727SS**  178.584.8125.261.20000111.9
277E31.6Very low40.5Very low210 Ų210144.4 Ų144.498%0.98175%0.748SS**  trans-112.774.6156.2-69.8-167.3172.900107.2
278A39.3Very low38.8Very low79 Ų79150.2 Ų150.265%0.65377%0.773SS**  trans-145118.5174.400000108.8
279E33.3Very low37.3Very low185 Ų185149.7 Ų149.786%0.86477%0.768SS**  trans69.894.1156.6-56.6-178.1-146.200118.8
280E33.8Very low36.5Very low200 Ų200155.1 Ų155.194%0.93579%0.792SS**  -143.770.6129.9-76.6-163.417700109
281E32.8Very low36.3Very low198 Ų198156.6 Ų156.693%0.92580%0.798SS**  trans-136.986.2160.6-75.6-165.4-175.500109.3
282E36Very low35.8Very low190 Ų190156.3 Ų156.389%0.88880%0.797SS**  trans-88.8140.4145.4-60.9-177.6178.700105
283E34.6Very low35.8Very low189 Ų189157.5 Ų157.588%0.88380%0.803SS**  cis-14115939.1-60.3173.6149.100113.9
284E34.2Very low35.2Very low174 Ų174160.9 Ų160.981%0.81382%0.815SS**  trans-26.5162.2164.3-50.2-69173.800118.2
285E34.9Very low34.9Very low174 Ų174160.5 Ų160.581%0.81381%0.813SS**  cis-163.2163.122.2-149.8173-163.900111.6
286D32Very low34.9Very low147 Ų147158.7 Ų158.779%0.78680%0.8SS**  trans67.7123.4158.7-138.821.1000118.6
287D34.3Very low35.5Very low134 Ų134162 Ų16272%0.71780%0.803SS**  cis-165.816645.2-172.8-5.6000110.1
288E42Very low35.8Very low153 Ų153157.8 Ų157.872%0.71578%0.783SS**  trans-74.1135.8-164.3-54175.9155.300116.4
289K38.6Very low35.7Very low175 Ų175162.8 Ų162.876%0.76179%0.793SS**  -176.1128.8112.1-99.1162.6-159.273.90117
290E44.5Very low36.2Very low185 Ų185161.3 Ų161.386%0.86479%0.786SS**  trans-20129.7158.3-54.4173.6155.600116.6
291K41.8Very low36.9Very low187 Ų187156.1 Ų156.181%0.81376%0.762SS**  trans-158.294.6137.6-86.4-117.5168.9-151.70112.7
292E33Very low37.6Very low166 Ų166154.2 Ų154.278%0.77676%0.756SS**  trans39.4111.9143.8-64.1175.9139.700119.5N294E292-N294 PolarHBondContact O-N 2.94Å
293D33.2Very low38.6Very low150 Ų150146.3 Ų146.380%0.80272%0.72SS**  trans-29.2123.6157.1-83.8-62.5000114.9
294N29.2Very low39.4Very low150 Ų150139.4 Ų139.480%0.80269%0.691SS**  trans-14256.7144.5-93.5-77000109.4E292 S296E292-N294 PolarHBondContact O-N 2.94Å; N294-S296 PolarHBondContact O-N 2.94Å
295S34Very low40.4Very low98 Ų98134.7 Ų134.769%0.68567%0.668SS**  trans-68.979.9154.5-169.10000108E297S295-E297 PolarHBondContact O-N 2.76Å
296S33.8Very low41.8Very low77 Ų77130 Ų13054%0.53865%0.652SS.*  trans-74.982.6169.366.80000107.9N294 E298N294-S296 PolarHBondContact O-N 2.94Å; S296-E298 PolarHBondContact O-N 2.86Å
297E38.5Very low43.4Very low180 Ų180131 Ų13184%0.84165%0.652SS**  trans-64.577.9159.9-160.8155.2141.100107.1S295 E299S295-E297 PolarHBondContact O-N 2.76Å; E297-E299 PolarHBondContact O-N 3.4Å
298E37.3Very low45.3Very low123 Ų123126.6 Ų126.658%0.57563%0.628SS**  trans-62.9104.5177.1-78.6-174.6124.300107.3S296 E300 R336S296-E298 PolarHBondContact O-N 2.86Å; E298-E300 PolarHBondContact O-N 3.4Å; E298-E300 VanDerWaalsContact O-N 3.16Å; E298-R336 IonicContact OE2-CZ 2.86Å; E298-R336 VanDerWaalsContact OE2-CZ 3.24Å; E298-R336 IonicContact OE2-NH1 3.64Å; E298-R336 PolarHBondContact OE2-NH1 3.24Å; E298-R336 IonicContact OE2-NH2 3.32Å; E298-R336 PolarHBondContact OE2-NH2 2.92Å
299E38.6Very low47Very low183 Ų183122.8 Ų122.886%0.85561%0.607SS**  trans-20110.8178.2-60.9179.7140.700112.2E297 E301E297-E299 PolarHBondContact O-N 3.4Å; E299-E301 PolarHBondContact O-N 2.97Å
300E43.8Very low48.9Very low155 Ų155118.9 Ų118.972%0.72459%0.591SS**  trans-6096157.5-91.6-154.6129.200106.2E298 I302 R309E298-E300 PolarHBondContact O-N 3.4Å; E298-E300 VanDerWaalsContact O-N 3.16Å; E300-I302 PolarHBondContact O-N 2.83Å; E300-R309 IonicContact OE1-NH1 3.41Å
301E47.7Very low50.7Low91 Ų91111.7 Ų111.743%0.42556%0.559SS.*  trans-54.193.5171177.3-169.5-143.700106.7E299 E303 R345E299-E301 PolarHBondContact O-N 2.97Å; E301-E303 WeakPolarHBondContact O-CA 3.5Å; E301-E303 PolarHBondContact O-N 3.12Å; E301-R345 IonicContact OE2-NH2 3.86Å; E301-R345 PolarHBondContact OE2-NH2 2.82Å; E301-R345 VanDerWaalsContact OE2-NH2 3.15Å
302I47.1Very low52.8Low157 Ų157102.8 Ų102.881%0.80552%0.52SS*.  trans-42.3100.3-167.3-66.1164.1000109E300 P304E300-I302 PolarHBondContact O-N 2.83Å; I302-P304 WeakPolarHBondContact O-CD 3.33Å; I302-P304 VanDerWaalsContact O-N 3.14Å
303E57Low55.3Low25 Ų2596.3 Ų96.312%0.11749%0.491CS..  trans-69.6116-173.4-78-175.616400106E301 F305 R309 N339E301-E303 WeakPolarHBondContact O-CA 3.5Å; E301-E303 PolarHBondContact O-N 3.12Å; E303-F305 PolarHBondContact O-N 3.34Å; E303-R309 WeakPolarHBondContact OE2-CD 3.48Å; E303-R309 IonicContact OE2-CZ 3.27Å; E303-R309 IonicContact OE2-NE 2.83Å; E303-R309 IonicContact OE2-NH1 3.81Å; E303-R309 PolarHBondContact OE2-NH1 2.96Å; E303-N339 PolarHBondContact OE1-ND2 2.9Å
304P52.5Low57.8Low43 Ų4391.2 Ų91.228%0.27946%0.462SS..SBendtrans-70.3-3.1-15624.5-35.2000115.1I302 L408 P409I302-P304 WeakPolarHBondContact O-CD 3.33Å; I302-P304 VanDerWaalsContact O-N 3.14Å; P304-L408 HydrophobicContact CG-CD2 3.79Å; P304-P409 VanDerWaalsContact CB-CD 3.48Å; P304-P409 HydrophobicContact CB-CG 3.86Å; P304-P409 VanDerWaalsContact CG-CD 3.4Å; P304-P409 HydrophobicContact CG-CG 4.33Å
305F55.8Low60.4Low76 Ų7684.1 Ų84.133%0.33342%0.424SS..  trans-141.877.9178.4-59.8-71.8000110.2E303 E307 E308 R309E303-F305 PolarHBondContact O-N 3.34Å; F305-E307 VanDerWaalsContact C-N 3.32Å; F305-E307 PolarHBondContact O-N 2.78Å; F305-E308 HydrophobicContact CB-CB 3.95Å; F305-E308 PolarHBondContact O-N 2.99Å; F305-R309 PolarHBondContact O-N 3.03Å
306P62.5Low63Low75 Ų7579.4 Ų79.449%0.48739%0.391SS..Hα-helixtrans-61.6-38.7-179.823.8-33000112.3E308 R309 E310P306-E308 VanDerWaalsContact C-N 3.26Å; P306-E308 PolarHBondContact O-N 2.92Å; P306-R309 WeakPolarHBondContact O-CB 3.1Å; P306-R309 PolarHBondContact O-N 3.21Å; P306-E310 PolarHBondContact O-N 3.25Å
307E67.1Low65.4Low168 Ų16878.3 Ų78.379%0.78538%0.375SS*.Hα-helixtrans-59.8-34.7176.3-62.8-178.3-178.200112.7F305 N311F305-E307 VanDerWaalsContact C-N 3.32Å; F305-E307 PolarHBondContact O-N 2.78Å; E307-N311 WeakPolarHBondContact O-CB 3.38Å; E307-N311 PolarHBondContact O-N 3.33Å
308E73Confident67.6Low42 Ų4271.3 Ų71.320%0.19634%0.342CS..Hα-helixtrans-82.8-35.7179.8-170170.8-135.400112.6F305 P306 E310 N311 F312 F404 Q405F305-E308 HydrophobicContact CB-CB 3.95Å; F305-E308 PolarHBondContact O-N 2.99Å; P306-E308 VanDerWaalsContact C-N 3.26Å; P306-E308 PolarHBondContact O-N 2.92Å; E308-E310 VanDerWaalsContact C-N 3.27Å; E308-E310 PolarHBondContact O-N 2.87Å; E308-N311 PolarHBondContact O-N 3.48Å; E308-F312 WeakPolarHBondContact O-CB 3.38Å; E308-F312 PolarHBondContact O-N 2.91Å; E308-F404 HydrophobicContact CG-CD1 4.04Å; E308-F404 WeakPolarHBondContact OE1-CA 3.22Å; E308-Q405 PolarHBondContact OE1-N 2.98Å; E308-Q405 VanDerWaalsContact OE2-CA 3.24Å; E308-Q405 WeakPolarHBondContact OE2-CA 3.34Å; E308-Q405 VanDerWaalsContact OE2-CB 3.3Å; E308-Q405 WeakPolarHBondContact OE2-CB 3.43Å; E308-Q405 PolarHBondContact OE2-N 2.65Å; E308-Q405 VanDerWaalsContact OE2-N 3.08Å; E308-Q405 VanDerWaalsContact OE2-O 3.14Å
309R78.1Confident69.8Low72 Ų7265.4 Ų65.427%0.27232%0.315SS..Hα-helixtrans-53.9-48.6166.4172-157173.8144.4-24.6109.9E300 E303 F305 P306 L313 F341E300-R309 IonicContact OE1-NH1 3.41Å; E303-R309 WeakPolarHBondContact OE2-CD 3.48Å; E303-R309 IonicContact OE2-CZ 3.27Å; E303-R309 IonicContact OE2-NE 2.83Å; E303-R309 IonicContact OE2-NH1 3.81Å; E303-R309 PolarHBondContact OE2-NH1 2.96Å; F305-R309 PolarHBondContact O-N 3.03Å; P306-R309 WeakPolarHBondContact O-CB 3.1Å; P306-R309 PolarHBondContact O-N 3.21Å; R309-L313 HydrophobicContact CG-CD1 4.13Å; R309-L313 WeakPolarHBondContact O-CB 3.38Å; R309-L313 VanDerWaalsContact O-CG 3.26Å; R309-L313 WeakPolarHBondContact O-CG 3.06Å; R309-L313 PolarHBondContact O-N 3.5Å; R309-F341 HydrophobicContact CB-CD1 3.79Å; R309-F341 HydrophobicContact CB-CD2 4.5Å; R309-F341 HydrophobicContact CB-CE1 3.84Å; R309-F341 HydrophobicContact CB-CG 4.13Å; R309-F341 HydrophobicContact CB-CZ 4.22Å; R309-F341 HydrophobicContact CG-CB 4.12Å; R309-F341 HydrophobicContact CG-CD1 3.77Å; R309-F341 HydrophobicContact CG-CE1 4.34Å; R309-F341 HydrophobicContact CG-CG 3.96Å
310E79.4Confident72Confident94 Ų9456.9 Ų56.944%0.43928%0.275SS..Hα-helixtrans-63.2-44.6175.6-76.3178.2-158.400111.5P306 E308 F312 L313 Q314P306-E310 PolarHBondContact O-N 3.25Å; E308-E310 VanDerWaalsContact C-N 3.27Å; E308-E310 PolarHBondContact O-N 2.87Å; E310-F312 PolarHBondContact O-N 3.21Å; E310-L313 PolarHBondContact O-N 3.1Å; E310-L313 VanDerWaalsContact O-N 3.16Å; E310-Q314 WeakPolarHBondContact O-CB 3.48Å; E310-Q314 VanDerWaalsContact O-CG 3.23Å; E310-Q314 WeakPolarHBondContact O-CG 3.37Å; E310-Q314 PolarHBondContact O-N 3.39Å
311N81.8Confident73.9Confident34 Ų3454.5 Ų54.518%0.18226%0.264CS..Hα-helixtrans-62.5-42.7-179.7-157.5-105000113.2K266 E307 E308 Q314 Q315K266-N311 WeakPolarHBondContact CD-ND2 3.4Å; K266-N311 WeakPolarHBondContact CE-ND2 3.43Å; K266-N311 PolarHBondContact NZ-ND2 3.44Å; E307-N311 WeakPolarHBondContact O-CB 3.38Å; E307-N311 PolarHBondContact O-N 3.33Å; E308-N311 PolarHBondContact O-N 3.48Å; N311-Q314 PolarHBondContact O-N 3.21Å; N311-Q315 PolarHBondContact O-N 3.45Å
312F85.9Confident75.5Confident0 Ų052.1 Ų52.10%025%0.254CS..Hα-helixtrans-56.5-50.1171.4171.4-90.6000111.3E308 E310 Q315 L316 F341 F344 L390 F393 F404E308-F312 WeakPolarHBondContact O-CB 3.38Å; E308-F312 PolarHBondContact O-N 2.91Å; E310-F312 PolarHBondContact O-N 3.21Å; F312-Q315 PolarHBondContact O-N 3.39Å; F312-L316 HydrophobicContact CE1-CD2 3.86Å; F312-L316 HydrophobicContact CZ-CD2 4.18Å; F312-L316 VanDerWaalsContact O-CB 3.24Å; F312-L316 WeakPolarHBondContact O-CB 3.49Å; F312-L316 PolarHBondContact O-N 3.08Å; F312-F341 HydrophobicContact CB-CD2 3.96Å; F312-F341 HydrophobicContact CB-CE2 4.2Å; F312-F341 HydrophobicContact CD1-CB 4.09Å; F312-F341 AromaticContact CD1-CD2 3.66Å; F312-F341 HydrophobicContact CD1-CD2 3.66Å; F312-F341 HydrophobicContact CD1-CG 4.36Å; F312-F341 HydrophobicContact CD2-CD2 4.39Å; F312-F341 HydrophobicContact CE1-CB 4.26Å; F312-F341 HydrophobicContact CE1-CD2 4.25Å; F312-F341 AromaticContact CG-CD2 3.74Å; F312-F341 HydrophobicContact CG-CD2 3.74Å; F312-F341 HydrophobicContact CG-CE2 4.31Å; F312-F344 AromaticContact CD2-CD1 3.98Å; F312-F344 HydrophobicContact CD2-CD1 3.98Å; F312-F344 HydrophobicContact CD2-CE1 4.16Å; F312-F344 HydrophobicContact CE1-CB 4.35Å; F312-F344 HydrophobicContact CE2-CB 4.05Å; F312-F344 AromaticContact CE2-CD1 3.2Å; F312-F344 HydrophobicContact CE2-CD1 3.2Å; F312-F344 HydrophobicContact CE2-CD2 4.05Å; F312-F344 AromaticContact CE2-CE1 3.53Å; F312-F344 HydrophobicContact CE2-CE1 3.53Å; F312-F344 HydrophobicContact CE2-CE2 4.31Å; F312-F344 AromaticContact CE2-CG 3.5Å; F312-F344 HydrophobicContact CE2-CG 3.5Å; F312-F344 VanDerWaalsContact CE2-CG 3.5Å; F312-F344 HydrophobicContact CE2-CZ 4.08Å; F312-F344 HydrophobicContact CZ-CB 3.58Å; F312-F344 AromaticContact CZ-CD1 3.7Å; F312-F344 HydrophobicContact CZ-CD1 3.7Å; F312-F344 HydrophobicContact CZ-CD2 4.09Å; F312-F344 HydrophobicContact CZ-CE1 4.4Å; F312-F344 AromaticContact CZ-CG 3.52Å; F312-F344 HydrophobicContact CZ-CG 3.52Å; F312-L390 HydrophobicContact CE1-CD2 4.43Å; F312-L390 HydrophobicContact CZ-CD2 3.9Å; F312-F393 AromaticContact CD2-CE1 3.73Å; F312-F393 HydrophobicContact CD2-CE1 3.73Å; F312-F393 HydrophobicContact CD2-CZ 4.5Å; F312-F393 AromaticContact CE2-CD1 3.85Å; F312-F393 HydrophobicContact CE2-CD1 3.85Å; F312-F393 AromaticContact CE2-CE1 3.43Å; F312-F393 HydrophobicContact CE2-CE1 3.43Å; F312-F393 VanDerWaalsContact CE2-CE1 3.43Å; F312-F393 HydrophobicContact CZ-CD1 4.3Å; F312-F393 HydrophobicContact CZ-CE1 4.2Å; F312-F404 HydrophobicContact CB-CD1 4.25Å; F312-F404 HydrophobicContact CB-CE1 3.95Å; F312-F404 HydrophobicContact CB-CZ 4.25Å; F312-F404 HydrophobicContact CD2-CD2 4.08Å; F312-F404 HydrophobicContact CD2-CE1 4.36Å; F312-F404 AromaticContact CD2-CE2 3.8Å; F312-F404 HydrophobicContact CD2-CE2 3.8Å; F312-F404 HydrophobicContact CD2-CG 4.46Å; F312-F404 AromaticContact CD2-CZ 3.95Å; F312-F404 HydrophobicContact CD2-CZ 3.95Å; F312-F404 HydrophobicContact CE2-CE2 4.49Å
313L85.5Confident76.8Confident30 Ų3045.7 Ų45.716%0.15722%0.219CC..Hα-helixtrans-63.5-46.2179.6-70.6170.4000111.4L269 R309 E310 Q315 L316 Y317 L340L269-L313 HydrophobicContact CD1-CB 3.91Å; R309-L313 HydrophobicContact CG-CD1 4.13Å; R309-L313 WeakPolarHBondContact O-CB 3.38Å; R309-L313 VanDerWaalsContact O-CG 3.26Å; R309-L313 WeakPolarHBondContact O-CG 3.06Å; R309-L313 PolarHBondContact O-N 3.5Å; E310-L313 PolarHBondContact O-N 3.1Å; E310-L313 VanDerWaalsContact O-N 3.16Å; L313-Q315 VanDerWaalsContact C-N 3.28Å; L313-Q315 PolarHBondContact O-N 3.28Å; L313-L316 PolarHBondContact O-N 3.29Å; L313-Y317 HydrophobicContact CD2-CE2 4.32Å; L313-Y317 WeakPolarHBondContact O-CB 3.48Å; L313-Y317 VanDerWaalsContact O-CD2 3.29Å; L313-Y317 WeakPolarHBondContact O-CD2 3.48Å; L313-Y317 PolarHBondContact O-N 3.08Å; L313-L340 HydrophobicContact CD2-CB 4.32Å
314Q84.9Confident77.5Confident43 Ų4346.8 Ų46.820%0.20124%0.238CC..Hα-helixtrans-58.1-39.9177.4-68.8175.3-0.500112.3K266 T267 L269 E310 N311 K318K266-Q314 HydrophobicContact CB-CB 4.06Å; T267-Q314 PolarHBondContact N-O 2.81Å; T267-Q314 VanDerWaalsContact O-CG 3.25Å; T267-Q314 WeakPolarHBondContact O-CG 3.43Å; T267-Q314 PolarHBondContact OG1-O 3.48Å; L269-Q314 HydrophobicContact CD1-CG 3.7Å; L269-Q314 HydrophobicContact CG-CG 3.86Å; E310-Q314 WeakPolarHBondContact O-CB 3.48Å; E310-Q314 VanDerWaalsContact O-CG 3.23Å; E310-Q314 WeakPolarHBondContact O-CG 3.37Å; E310-Q314 PolarHBondContact O-N 3.39Å; N311-Q314 PolarHBondContact O-N 3.21Å; Q314-K318 WeakPolarHBondContact O-CB 3.39Å; Q314-K318 PolarHBondContact O-N 3.46Å
315Q85.2Confident78.8Confident0 Ų047.7 Ų47.70%024%0.243CC..Hα-helixtrans-74.6-39.7178.1-158.8-172.626.500111.9I261 N311 F312 L313 K318 F319 F393I261-Q315 HydrophobicContact CG2-CG 4.4Å; N311-Q315 PolarHBondContact O-N 3.45Å; F312-Q315 PolarHBondContact O-N 3.39Å; L313-Q315 VanDerWaalsContact C-N 3.28Å; L313-Q315 PolarHBondContact O-N 3.28Å; Q315-K318 PolarHBondContact O-N 2.9Å; Q315-F319 VanDerWaalsContact O-CB 3.26Å; Q315-F319 WeakPolarHBondContact O-CB 3.43Å; Q315-F319 PolarHBondContact O-N 2.98Å; Q315-F393 HydrophobicContact CB-CE2 4.13Å; Q315-F393 HydrophobicContact CB-CZ 4.04Å; Q315-F393 HydrophobicContact CG-CE2 3.95Å; Q315-F393 HydrophobicContact CG-CZ 4.17Å
316L87.1Confident79.9Confident0 Ų046.7 Ų46.70%024%0.244CC..Hα-helixtrans-62.7-47.4176.5175.963.9000111.8F312 L313 K318 F319 M320 L340 L390 F393F312-L316 HydrophobicContact CE1-CD2 3.86Å; F312-L316 HydrophobicContact CZ-CD2 4.18Å; F312-L316 VanDerWaalsContact O-CB 3.24Å; F312-L316 WeakPolarHBondContact O-CB 3.49Å; F312-L316 PolarHBondContact O-N 3.08Å; L313-L316 PolarHBondContact O-N 3.29Å; L316-K318 PolarHBondContact O-N 2.85Å; L316-F319 PolarHBondContact O-N 2.67Å; L316-M320 HydrophobicContact CD1-CG 4.13Å; L316-M320 HydrophobicContact CD1-SD 4.33Å; L316-M320 WeakPolarHBondContact O-CB 3.23Å; L316-M320 WeakPolarHBondContact O-CG 3.38Å; L316-M320 PolarHBondContact O-N 2.91Å; L316-L340 HydrophobicContact CD2-CB 4.29Å; L316-L340 HydrophobicContact CD2-CD1 3.93Å; L316-L390 HydrophobicContact CD1-CD2 4.21Å; L316-L390 HydrophobicContact CD2-CD2 3.65Å; L316-F393 HydrophobicContact CB-CD2 4.45Å; L316-F393 HydrophobicContact CB-CE1 4.5Å; L316-F393 HydrophobicContact CB-CE2 4.39Å; L316-F393 HydrophobicContact CB-CZ 4.41Å; L316-F393 HydrophobicContact CD1-CB 3.57Å; L316-F393 HydrophobicContact CD1-CD1 4Å; L316-F393 HydrophobicContact CD1-CD2 3.99Å; L316-F393 HydrophobicContact CD1-CG 3.57Å
317Y85.4Confident80.7Confident53 Ų5344 Ų4421%0.20823%0.225CC..Hα-helixtrans-63.2-41.5177.8-88.5-100.4000111.2L313 M320 E321 I327L313-Y317 HydrophobicContact CD2-CE2 4.32Å; L313-Y317 WeakPolarHBondContact O-CB 3.48Å; L313-Y317 VanDerWaalsContact O-CD2 3.29Å; L313-Y317 WeakPolarHBondContact O-CD2 3.48Å; L313-Y317 PolarHBondContact O-N 3.08Å; Y317-M320 PolarHBondContact O-N 3.5Å; Y317-E321 PolarHBondContact O-N 2.89Å; Y317-I327 HydrophobicContact CD1-CB 4.11Å; Y317-I327 HydrophobicContact CE1-CB 3.65Å; Y317-I327 HydrophobicContact CE1-CG2 3.86Å; Y317-I327 HydrophobicContact CE2-CD1 4.44Å
318K83.6Confident81.1Confident33 Ų3342.6 Ų42.614%0.14322%0.223CC..Hα-helixtrans-61.9-46.6173.3-164.680-163.779.80111.9W265 T267 Q314 Q315 L316 M320 E321 D322W265-K318 WeakPolarHBondContact O-CB 3.33Å; T267-K318 HydrophobicContact CG2-CB 3.94Å; T267-K318 HydrophobicContact CG2-CD 3.78Å; T267-K318 HydrophobicContact CG2-CG 4.49Å; Q314-K318 WeakPolarHBondContact O-CB 3.39Å; Q314-K318 PolarHBondContact O-N 3.46Å; Q315-K318 PolarHBondContact O-N 2.9Å; L316-K318 PolarHBondContact O-N 2.85Å; K318-M320 VanDerWaalsContact C-N 3.33Å; K318-M320 PolarHBondContact O-N 2.88Å; K318-E321 IonicContact NZ-OE2 3.66Å; K318-E321 PolarHBondContact NZ-OE2 2.92Å; K318-E321 WeakPolarHBondContact O-CB 3.24Å; K318-E321 PolarHBondContact O-N 3.39Å; K318-D322 IonicContact NZ-OD1 2.69Å; K318-D322 PolarHBondContact NZ-OD1 2.71Å; K318-D322 IonicContact NZ-OD2 2.65Å; K318-D322 WeakPolarHBondContact O-CB 3.41Å; K318-D322 VanDerWaalsContact O-CG 3.22Å; K318-D322 PolarHBondContact O-N 2.9Å
319F83.9Confident81.2Confident0 Ų049.1 Ų49.10%025%0.251CS..Hα-helixtrans-60.1-42.4178.3175.5-98.8000112C201 F222 Q315 L316 D322 R323 G392 F393 Y396C201-F319 HydrophobicContact CB-CE2 4.22Å; C201-F319 HydrophobicContact CB-CZ 4.28Å; C201-F319 VanDerWaalsContact O-CZ 3.28Å; C201-F319 WeakPolarHBondContact O-CZ 3.4Å; F222-F319 HydrophobicContact CE1-CE2 4.49Å; F222-F319 HydrophobicContact CE2-CD2 4.12Å; F222-F319 HydrophobicContact CE2-CE2 4.17Å; F222-F319 AromaticContact CZ-CD2 3.72Å; F222-F319 HydrophobicContact CZ-CD2 3.72Å; F222-F319 AromaticContact CZ-CE2 3.64Å; F222-F319 HydrophobicContact CZ-CE2 3.64Å; Q315-F319 VanDerWaalsContact O-CB 3.26Å; Q315-F319 WeakPolarHBondContact O-CB 3.43Å; Q315-F319 PolarHBondContact O-N 2.98Å; L316-F319 PolarHBondContact O-N 2.67Å; F319-D322 PolarHBondContact O-N 3.48Å; F319-R323 WeakPolarHBondContact O-CG 3.32Å; F319-R323 PolarHBondContact O-N 2.85Å; F319-R323 VanDerWaalsContact O-N 3.08Å; F319-G392 VanDerWaalsContact CE1-C 3.47Å; F319-G392 WeakPolarHBondContact CZ-O 3.21Å; F319-F393 HydrophobicContact CB-CD2 3.8Å; F319-F393 HydrophobicContact CB-CE2 4.19Å; F319-F393 HydrophobicContact CD1-CB 3.9Å; F319-F393 AromaticContact CD1-CD2 3.8Å; F319-F393 HydrophobicContact CD1-CD2 3.8Å; F319-F393 HydrophobicContact CD1-CG 4.35Å; F319-F393 HydrophobicContact CD2-CD2 4.41Å; F319-F393 HydrophobicContact CE1-CB 3.98Å; F319-F393 HydrophobicContact CE1-CD2 4.5Å; F319-F393 AromaticContact CG-CD2 3.75Å; F319-F393 HydrophobicContact CG-CD2 3.75Å; F319-Y396 HydrophobicContact CD2-CD1 4.08Å; F319-Y396 HydrophobicContact CD2-CG 4.01Å; F319-Y396 HydrophobicContact CE2-CD1 4.34Å; F319-Y396 HydrophobicContact CE2-CD2 4.27Å; F319-Y396 AromaticContact CE2-CG 3.82Å; F319-Y396 HydrophobicContact CE2-CG 3.82Å
320M85.3Confident81.1Confident4 Ų452.5 Ų52.52%0.0226%0.264CS..Hα-helixtrans-70.6-30.7177.9-69.6-152.475.300113.2L316 Y317 K318 T325 I327 Y389L316-M320 HydrophobicContact CD1-CG 4.13Å; L316-M320 HydrophobicContact CD1-SD 4.33Å; L316-M320 WeakPolarHBondContact O-CB 3.23Å; L316-M320 WeakPolarHBondContact O-CG 3.38Å; L316-M320 PolarHBondContact O-N 2.91Å; Y317-M320 PolarHBondContact O-N 3.5Å; K318-M320 VanDerWaalsContact C-N 3.33Å; K318-M320 PolarHBondContact O-N 2.88Å; M320-T325 WeakPolarHBondContact CE-O 3.23Å; M320-T325 WeakPolarHBondContact CE-OG1 3.43Å; M320-T325 CarbonylContact O-C 3.14Å; M320-T325 WeakPolarHBondContact O-CA 3.31Å; M320-T325 PolarHBondContact O-N 2.92Å; M320-I327 HydrophobicContact CB-CG1 4.3Å; M320-I327 HydrophobicContact CE-CG1 4.28Å; M320-I327 HydrophobicContact CG-CG1 4.46Å; M320-I327 HydrophobicContact SD-CD1 3.5Å; M320-I327 VanDerWaalsContact SD-CD1 3.5Å; M320-I327 HydrophobicContact SD-CG1 3.51Å; M320-I327 VanDerWaalsContact SD-CG1 3.51Å; M320-Y389 HydrophobicContact CE-CD1 3.94Å; M320-Y389 HydrophobicContact SD-CD1 4.01Å; M320-Y389 VanDerWaalsContact SD-O 3.38Å
321E83.6Confident81.4Confident104 Ų10448.4 Ų48.449%0.48625%0.245SC..Hα-helixtrans-67-48.9167.7-176.1-176-134.400111.6Y317 K318 R323 G324Y317-E321 PolarHBondContact O-N 2.89Å; K318-E321 IonicContact NZ-OE2 3.66Å; K318-E321 PolarHBondContact NZ-OE2 2.92Å; K318-E321 WeakPolarHBondContact O-CB 3.24Å; K318-E321 PolarHBondContact O-N 3.39Å; E321-R323 VanDerWaalsContact C-N 3.29Å; E321-R323 PolarHBondContact O-N 3.04Å; E321-G324 PolarHBondContact O-N 3.44Å
322D79.8Confident81.5Confident41 Ų4151.2 Ų51.222%0.21926%0.263CS..Hα-helixtrans-66-25.8-175.2-71-16.3000113.7R215 F222 K318 F319R215-D322 IonicContact CZ-OD2 3.11Å; R215-D322 IonicContact NE-OD2 2.64Å; R215-D322 IonicContact NH2-OD2 3.14Å; R215-D322 PolarHBondContact NH2-OD2 3.48Å; F222-D322 HydrophobicContact CD2-CB 4.18Å; F222-D322 HydrophobicContact CE2-CB 3.88Å; K318-D322 IonicContact NZ-OD1 2.69Å; K318-D322 PolarHBondContact NZ-OD1 2.71Å; K318-D322 IonicContact NZ-OD2 2.65Å; K318-D322 WeakPolarHBondContact O-CB 3.41Å; K318-D322 VanDerWaalsContact O-CG 3.22Å; K318-D322 PolarHBondContact O-N 2.9Å; F319-D322 PolarHBondContact O-N 3.48Å
323R75.1Confident81.5Confident22 Ų2252 Ų528%0.08327%0.267CS..THydrogen-bonded Turntrans-90.88.8173.476.4-176.5-75.8-177.23.7114.5D203 F319 E321 T325D203-R323 IonicContact OD2-CZ 2.78Å; D203-R323 IonicContact OD2-NH2 2.8Å; D203-R323 PolarHBondContact OD2-NH2 3.06Å; F319-R323 WeakPolarHBondContact O-CG 3.32Å; F319-R323 PolarHBondContact O-N 2.85Å; F319-R323 VanDerWaalsContact O-N 3.08Å; E321-R323 VanDerWaalsContact C-N 3.29Å; E321-R323 PolarHBondContact O-N 3.04Å; R323-T325 WeakPolarHBondContact CD-OG1 3.44Å; R323-T325 WeakPolarHBondContact CG-OG1 3.42Å; R323-T325 PolarHBondContact O-N 2.93Å
324G72.8Confident81.3Confident49 Ų4951.9 Ų51.951%0.50527%0.273SS..THydrogen-bonded Turntrans78.210.2177.900000116E321 P326E321-G324 PolarHBondContact O-N 3.44Å; G324-P326 WeakPolarHBondContact O-CD 3.39Å
325T79.7Confident81.2Confident62 Ų6259.7 Ų59.738%0.3830%0.302SS..  trans-120.955-179.466.10000113.3M320 R323 I327M320-T325 WeakPolarHBondContact CE-O 3.23Å; M320-T325 WeakPolarHBondContact CE-OG1 3.43Å; M320-T325 CarbonylContact O-C 3.14Å; M320-T325 WeakPolarHBondContact O-CA 3.31Å; M320-T325 PolarHBondContact O-N 2.92Å; R323-T325 WeakPolarHBondContact CD-OG1 3.44Å; R323-T325 WeakPolarHBondContact CG-OG1 3.42Å; R323-T325 PolarHBondContact O-N 2.93Å; T325-I327 PolarHBondContact O-N 2.97Å
326P78.6Confident81.1Confident55 Ų5564 Ų6436%0.35732%0.318SS..  trans-61.4137.6-172.124.3-34.7000113.3G324 N328G324-P326 WeakPolarHBondContact O-CD 3.39Å; P326-N328 VanDerWaalsContact C-N 3.26Å; P326-N328 PolarHBondContact O-N 2.96Å
327I79Confident81Confident17 Ų1769.2 Ų69.29%0.08735%0.346CS..  trans-75.678.7172.5-54.6-175.7000109.3Y317 M320 T325 K329 P331 L340 Y389Y317-I327 HydrophobicContact CD1-CB 4.11Å; Y317-I327 HydrophobicContact CE1-CB 3.65Å; Y317-I327 HydrophobicContact CE1-CG2 3.86Å; Y317-I327 HydrophobicContact CE2-CD1 4.44Å; M320-I327 HydrophobicContact CB-CG1 4.3Å; M320-I327 HydrophobicContact CE-CG1 4.28Å; M320-I327 HydrophobicContact CG-CG1 4.46Å; M320-I327 HydrophobicContact SD-CD1 3.5Å; M320-I327 VanDerWaalsContact SD-CD1 3.5Å; M320-I327 HydrophobicContact SD-CG1 3.51Å; M320-I327 VanDerWaalsContact SD-CG1 3.51Å; T325-I327 PolarHBondContact O-N 2.97Å; I327-K329 WeakPolarHBondContact CG2-O 3.42Å; I327-K329 PolarHBondContact O-N 3.41Å; I327-P331 HydrophobicContact CG2-CG 4.16Å; I327-L340 HydrophobicContact CD1-CD1 3.83Å; I327-Y389 HydrophobicContact CD1-CD1 3.92Å; I327-Y389 HydrophobicContact CD1-CE1 4.48Å; I327-Y389 HydrophobicContact CG1-CD1 4.08Å; I327-Y389 HydrophobicContact CG1-CE1 4.29Å
328N74.5Confident81.1Confident140 Ų14067.4 Ų67.475%0.74934%0.34SS*.  trans-72.2-7.9177.2-65.3-39.2000114.1P326P326-N328 VanDerWaalsContact C-N 3.26Å; P326-N328 PolarHBondContact O-N 2.96Å
329K75.1Confident81.3Confident178 Ų17868.1 Ų68.177%0.77435%0.346SS*.SBendtrans-147.5137.1176.7-66.4-167.1174.2-162.50109.4I327I327-K329 WeakPolarHBondContact CG2-O 3.42Å; I327-K329 PolarHBondContact O-N 3.41Å
330R77.8Confident81.6Confident144 Ų14468.4 Ų68.454%0.54335%0.347SS..  trans-49.5126.7173.2-69.5-175177.91800.5109.3S273 V332S273-R330 PolarHBondContact O-NH2 2.92Å; R330-V332 PolarHBondContact O-N 2.74Å
331P84.1Confident81.6Confident8 Ų868.6 Ų68.65%0.05235%0.348CS..  trans-63.5137.7179.6-24.436.5000111I327 L338 L340 Y389I327-P331 HydrophobicContact CG2-CG 4.16Å; P331-L338 HydrophobicContact CB-CB 4.23Å; P331-L338 HydrophobicContact CB-CD2 4.26Å; P331-L338 VanDerWaalsContact O-CB 3.31Å; P331-L338 WeakPolarHBondContact O-CB 3.22Å; P331-L338 PolarHBondContact O-N 3.02Å; P331-L340 HydrophobicContact CG-CD1 4.17Å; P331-L340 HydrophobicContact CG-CD2 4.3Å; P331-L340 HydrophobicContact CG-CG 4.5Å; P331-Y389 HydrophobicContact CB-CD2 4.19Å; P331-Y389 HydrophobicContact CB-CE1 4.45Å; P331-Y389 HydrophobicContact CB-CE2 3.78Å; P331-Y389 HydrophobicContact CG-CD1 4.06Å; P331-Y389 HydrophobicContact CG-CD2 4.2Å; P331-Y389 HydrophobicContact CG-CE1 3.84Å; P331-Y389 HydrophobicContact CG-CE2 4.01Å; P331-Y389 HydrophobicContact CG-CG 4.25Å
332V84.8Confident81.9Confident93 Ų9365.9 Ų65.956%0.56433%0.334SS*.EExtended strand (participates in β ladder)trans-115.7133.1-180178.40000108.8R330 R336R330-V332 PolarHBondContact O-N 2.74Å; V332-R336 WeakPolarHBondContact CA-O 3.5Å; V332-R336 WeakPolarHBondContact CG1-O 3.4Å
333L85.6Confident82.4Confident16 Ų1663.9 Ų63.98%0.08432%0.324CS..EExtended strand (participates in β ladder)trans-136.6126.2179.3-172.665.5000109Y335 R336 L338 Y366 I371 N381 V382L333-Y335 VanDerWaalsContact C-N 3.26Å; L333-Y335 PolarHBondContact O-N 3.34Å; L333-R336 PolarHBondContact N-O 3.03Å; L333-R336 PolarHBondContact O-N 3.09Å; L333-R336 VanDerWaalsContact O-N 3.08Å; L333-R336 VanDerWaalsContact O-O 3.12Å; L333-L338 HydrophobicContact CB-CB 4.33Å; L333-L338 HydrophobicContact CB-CD1 4.21Å; L333-L338 HydrophobicContact CD2-CD1 3.9Å; L333-Y366 HydrophobicContact CD1-CE2 4.3Å; L333-Y366 HydrophobicContact CD2-CD2 4.09Å; L333-Y366 HydrophobicContact CD2-CE2 3.83Å; L333-Y366 HydrophobicContact CG-CE2 3.85Å; L333-I371 HydrophobicContact CB-CD1 4.1Å; L333-I371 HydrophobicContact CD2-CD1 4.03Å; L333-I371 HydrophobicContact CG-CD1 4.18Å; L333-N381 HydrophobicContact CD1-CB 3.87Å; L333-V382 HydrophobicContact CD2-CB 4.03Å; L333-V382 HydrophobicContact CD2-CG2 4.37Å
334G81Confident83.1Confident27 Ų2763 Ų6328%0.27832%0.321SS..THydrogen-bonded Turntrans5836.2-179.200000114.1R336 Y366G334-R336 PolarHBondContact O-N 2.98Å; G334-Y366 WeakPolarHBondContact CA-OH 3.35Å
335Y82.6Confident83.9Confident207 Ų20761.7 Ų61.781%0.81230%0.3SS*.THydrogen-bonded Turntrans64.95.3-175.4-50.7-87.1000115.9L333L333-Y335 VanDerWaalsContact C-N 3.26Å; L333-Y335 PolarHBondContact O-N 3.34Å
336R83.4Confident84.3Confident91 Ų9160 Ų6034%0.34329%0.289SS..EExtended strand (participates in β ladder)trans-106.8152.6171.5-68.3-177.5167.7-147-15.6110.9E298 V332 L333 G334 L338 G370 I371E298-R336 IonicContact OE2-CZ 2.86Å; E298-R336 VanDerWaalsContact OE2-CZ 3.24Å; E298-R336 IonicContact OE2-NH1 3.64Å; E298-R336 PolarHBondContact OE2-NH1 3.24Å; E298-R336 IonicContact OE2-NH2 3.32Å; E298-R336 PolarHBondContact OE2-NH2 2.92Å; V332-R336 WeakPolarHBondContact CA-O 3.5Å; V332-R336 WeakPolarHBondContact CG1-O 3.4Å; L333-R336 PolarHBondContact N-O 3.03Å; L333-R336 PolarHBondContact O-N 3.09Å; L333-R336 VanDerWaalsContact O-N 3.08Å; L333-R336 VanDerWaalsContact O-O 3.12Å; G334-R336 PolarHBondContact O-N 2.98Å; R336-L338 PolarHBondContact O-N 3.19Å; R336-G370 PolarHBondContact NH1-O 2.92Å; R336-I371 HydrophobicContact CB-CG1 4.49Å
337N85Confident84.9Confident110 Ų11057.3 Ų57.359%0.58827%0.272SS*.EExtended strand (participates in β ladder)trans-64.7131.1170.6-74.9-46.8000109.4N339N337-N339 PolarHBondContact O-N 3.42Å
338L86.9Confident85.3Confident14 Ų1460.9 Ų60.97%0.07329%0.288CS..  trans-84.6111.1-178.8-177.263.2000110.4P331 L333 R336 L340 L343 L369 I371 A385P331-L338 HydrophobicContact CB-CB 4.23Å; P331-L338 HydrophobicContact CB-CD2 4.26Å; P331-L338 VanDerWaalsContact O-CB 3.31Å; P331-L338 WeakPolarHBondContact O-CB 3.22Å; P331-L338 PolarHBondContact O-N 3.02Å; L333-L338 HydrophobicContact CB-CB 4.33Å; L333-L338 HydrophobicContact CB-CD1 4.21Å; L333-L338 HydrophobicContact CD2-CD1 3.9Å; R336-L338 PolarHBondContact O-N 3.19Å; L338-L340 HydrophobicContact CD2-CD2 4.04Å; L338-L340 HydrophobicContact CG-CD2 4.34Å; L338-L340 PolarHBondContact O-N 3.41Å; L338-L343 HydrophobicContact CD1-CD2 4.21Å; L338-L343 HydrophobicContact CD2-CD2 4.02Å; L338-L343 HydrophobicContact CG-CD2 4.4Å; L338-L369 HydrophobicContact CD1-CD1 3.74Å; L338-I371 HydrophobicContact CD1-CD1 4.38Å; L338-A385 HydrophobicContact CD2-CB 3.97Å
339N88.4Confident85.9Confident49 Ų4962.7 Ų62.726%0.26229%0.289SS..  trans-70.1102168.5-178.7-18.7000109.2E303 N337 F341 K342 L343E303-N339 PolarHBondContact OE1-ND2 2.9Å; N337-N339 PolarHBondContact O-N 3.42Å; N339-F341 PolarHBondContact OD1-N 2.88Å; N339-F341 VanDerWaalsContact OD1-N 3.08Å; N339-K342 HydrophobicContact CB-CB 3.99Å; N339-K342 VanDerWaalsContact CG-CB 3.45Å; N339-K342 PolarHBondContact OD1-N 3.26Å; N339-L343 WeakPolarHBondContact O-CB 3.36Å; N339-L343 PolarHBondContact O-N 2.89Å
340L89.8Confident86.5Confident6 Ų658 Ų583%0.03127%0.272CS..Hα-helixtrans-65.4-36.1-178.9-68.9173.3000112.7L313 L316 I327 P331 L338 F344 Y389 L390L313-L340 HydrophobicContact CD2-CB 4.32Å; L316-L340 HydrophobicContact CD2-CB 4.29Å; L316-L340 HydrophobicContact CD2-CD1 3.93Å; I327-L340 HydrophobicContact CD1-CD1 3.83Å; P331-L340 HydrophobicContact CG-CD1 4.17Å; P331-L340 HydrophobicContact CG-CD2 4.3Å; P331-L340 HydrophobicContact CG-CG 4.5Å; L338-L340 HydrophobicContact CD2-CD2 4.04Å; L338-L340 HydrophobicContact CG-CD2 4.34Å; L338-L340 PolarHBondContact O-N 3.41Å; L340-F344 WeakPolarHBondContact O-CB 3.31Å; L340-F344 PolarHBondContact O-N 3.27Å; L340-Y389 HydrophobicContact CD2-CG 4.45Å; L340-L390 HydrophobicContact CB-CD2 4.39Å; L340-L390 HydrophobicContact CD2-CD1 4.45Å; L340-L390 HydrophobicContact CD2-CD2 4.43Å; L340-L390 HydrophobicContact CD2-CG 4.36Å
341F87.2Confident86.8Confident7 Ų753.1 Ų53.13%0.03127%0.266CS..Hα-helixtrans-69.4-46.6178.6179.7-112.7000111.3R309 F312 N339 L343 F344 R345 M406R309-F341 HydrophobicContact CB-CD1 3.79Å; R309-F341 HydrophobicContact CB-CD2 4.5Å; R309-F341 HydrophobicContact CB-CE1 3.84Å; R309-F341 HydrophobicContact CB-CG 4.13Å; R309-F341 HydrophobicContact CB-CZ 4.22Å; R309-F341 HydrophobicContact CG-CB 4.12Å; R309-F341 HydrophobicContact CG-CD1 3.77Å; R309-F341 HydrophobicContact CG-CE1 4.34Å; R309-F341 HydrophobicContact CG-CG 3.96Å; F312-F341 HydrophobicContact CB-CD2 3.96Å; F312-F341 HydrophobicContact CB-CE2 4.2Å; F312-F341 HydrophobicContact CD1-CB 4.09Å; F312-F341 AromaticContact CD1-CD2 3.66Å; F312-F341 HydrophobicContact CD1-CD2 3.66Å; F312-F341 HydrophobicContact CD1-CG 4.36Å; F312-F341 HydrophobicContact CD2-CD2 4.39Å; F312-F341 HydrophobicContact CE1-CB 4.26Å; F312-F341 HydrophobicContact CE1-CD2 4.25Å; F312-F341 AromaticContact CG-CD2 3.74Å; F312-F341 HydrophobicContact CG-CD2 3.74Å; F312-F341 HydrophobicContact CG-CE2 4.31Å; N339-F341 PolarHBondContact OD1-N 2.88Å; N339-F341 VanDerWaalsContact OD1-N 3.08Å; F341-L343 VanDerWaalsContact C-N 3.33Å; F341-L343 PolarHBondContact O-N 2.99Å; F341-F344 PolarHBondContact O-N 3.18Å; F341-R345 WeakPolarHBondContact O-CB 3.41Å; F341-R345 PolarHBondContact O-N 2.76Å; F341-M406 HydrophobicContact CE2-CG 4.22Å; F341-M406 HydrophobicContact CZ-CG 4.46Å
342K88.4Confident86.9Confident47 Ų4752.8 Ų52.820%0.20426%0.264CS..Hα-helixtrans-60.8-40.9174.5-172.2174.1179.5179.60111.7N339 L346 D368 L369N339-K342 HydrophobicContact CB-CB 3.99Å; N339-K342 VanDerWaalsContact CG-CB 3.45Å; N339-K342 PolarHBondContact OD1-N 3.26Å; K342-L346 HydrophobicContact CG-CD1 4.2Å; K342-L346 WeakPolarHBondContact O-CB 3.41Å; K342-L346 WeakPolarHBondContact O-CD1 3.41Å; K342-L346 VanDerWaalsContact O-CG 3.22Å; K342-L346 WeakPolarHBondContact O-CG 3.41Å; K342-L346 PolarHBondContact O-N 2.97Å; K342-D368 WeakPolarHBondContact CE-O 3.34Å; K342-D368 PolarHBondContact NZ-O 2.81Å; K342-D368 VanDerWaalsContact NZ-O 3.15Å; K342-L369 HydrophobicContact CB-CD2 4.23Å; K342-L369 HydrophobicContact CD-CD2 4.38Å; K342-L369 HydrophobicContact CG-CD2 4.11Å
343L90.6Very high87Confident0 Ų049.3 Ų49.30%024%0.241CC..Hα-helixtrans-62.4-46.2174.117456.8000111.9L338 N339 F341 L346 V347 V365 L369 V382 Y386 L390L338-L343 HydrophobicContact CD1-CD2 4.21Å; L338-L343 HydrophobicContact CD2-CD2 4.02Å; L338-L343 HydrophobicContact CG-CD2 4.4Å; N339-L343 WeakPolarHBondContact O-CB 3.36Å; N339-L343 PolarHBondContact O-N 2.89Å; F341-L343 VanDerWaalsContact C-N 3.33Å; F341-L343 PolarHBondContact O-N 2.99Å; L343-L346 PolarHBondContact O-N 2.85Å; L343-V347 HydrophobicContact CD1-CG2 4.15Å; L343-V347 PolarHBondContact O-N 2.77Å; L343-V347 VanDerWaalsContact O-N 3.12Å; L343-V365 HydrophobicContact CD1-CG1 3.56Å; L343-L369 HydrophobicContact CB-CD1 4.43Å; L343-L369 HydrophobicContact CB-CD2 4.04Å; L343-L369 HydrophobicContact CD1-CD1 4.15Å; L343-V382 HydrophobicContact CD1-CG2 3.55Å; L343-V382 HydrophobicContact CD2-CG2 4.26Å; L343-Y386 HydrophobicContact CD1-CD2 3.9Å; L343-Y386 HydrophobicContact CD2-CD2 4.05Å; L343-Y386 HydrophobicContact CG-CD2 3.73Å; L343-Y386 HydrophobicContact CG-CE2 4.3Å; L343-L390 HydrophobicContact CB-CD1 4.1Å; L343-L390 HydrophobicContact CD2-CD1 3.7Å; L343-L390 HydrophobicContact CG-CD1 3.66Å
344F89.9Confident87.1Confident4 Ų451.9 Ų51.92%0.01826%0.256CS..Hα-helixtrans-60.7-49.4176.7-173.3-107.7000111.6F312 L340 F341 L346 V347 H348 Y386 L390 E394 F404 M406F312-F344 AromaticContact CD2-CD1 3.98Å; F312-F344 HydrophobicContact CD2-CD1 3.98Å; F312-F344 HydrophobicContact CD2-CE1 4.16Å; F312-F344 HydrophobicContact CE1-CB 4.35Å; F312-F344 HydrophobicContact CE2-CB 4.05Å; F312-F344 AromaticContact CE2-CD1 3.2Å; F312-F344 HydrophobicContact CE2-CD1 3.2Å; F312-F344 HydrophobicContact CE2-CD2 4.05Å; F312-F344 AromaticContact CE2-CE1 3.53Å; F312-F344 HydrophobicContact CE2-CE1 3.53Å; F312-F344 HydrophobicContact CE2-CE2 4.31Å; F312-F344 AromaticContact CE2-CG 3.5Å; F312-F344 HydrophobicContact CE2-CG 3.5Å; F312-F344 VanDerWaalsContact CE2-CG 3.5Å; F312-F344 HydrophobicContact CE2-CZ 4.08Å; F312-F344 HydrophobicContact CZ-CB 3.58Å; F312-F344 AromaticContact CZ-CD1 3.7Å; F312-F344 HydrophobicContact CZ-CD1 3.7Å; F312-F344 HydrophobicContact CZ-CD2 4.09Å; F312-F344 HydrophobicContact CZ-CE1 4.4Å; F312-F344 AromaticContact CZ-CG 3.52Å; F312-F344 HydrophobicContact CZ-CG 3.52Å; L340-F344 WeakPolarHBondContact O-CB 3.31Å; L340-F344 PolarHBondContact O-N 3.27Å; F341-F344 PolarHBondContact O-N 3.18Å; F344-L346 VanDerWaalsContact C-N 3.33Å; F344-L346 PolarHBondContact O-N 3.29Å; F344-V347 PolarHBondContact O-N 3.08Å; F344-H348 VanDerWaalsContact O-CB 3.25Å; F344-H348 WeakPolarHBondContact O-CB 3.39Å; F344-H348 PolarHBondContact O-N 2.92Å; F344-Y386 HydrophobicContact CD2-CE2 4.5Å; F344-Y386 WeakPolarHBondContact CD2-OH 3.32Å; F344-L390 HydrophobicContact CB-CD1 4.09Å; F344-L390 HydrophobicContact CB-CD2 4.45Å; F344-E394 HydrophobicContact CE2-CB 3.94Å; F344-E394 HydrophobicContact CE2-CG 4.1Å; F344-F404 HydrophobicContact CE1-CD2 4.36Å; F344-M406 HydrophobicContact CD1-CE 4.31Å; F344-M406 HydrophobicContact CD1-SD 3.33Å; F344-M406 WeakPolarHBondContact CD1-SD 3.08Å; F344-M406 HydrophobicContact CE1-CE 3.75Å; F344-M406 HydrophobicContact CE1-SD 3.39Å; F344-M406 WeakPolarHBondContact CE1-SD 3.44Å
345R88.9Confident87.4Confident21 Ų2156.4 Ų56.48%0.07927%0.273CS..Hα-helixtrans-53.4-45.5175.1179.117885.1-173.19.9112.7E301 F341 K349 M406E301-R345 IonicContact OE2-NH2 3.86Å; E301-R345 PolarHBondContact OE2-NH2 2.82Å; E301-R345 VanDerWaalsContact OE2-NH2 3.15Å; F341-R345 WeakPolarHBondContact O-CB 3.41Å; F341-R345 PolarHBondContact O-N 2.76Å; R345-K349 VanDerWaalsContact O-CB 3.31Å; R345-K349 WeakPolarHBondContact O-CB 3.28Å; R345-K349 PolarHBondContact O-N 3.31Å; R345-M406 HydrophobicContact CB-CB 4.48Å; R345-M406 WeakPolarHBondContact CD-O 3.13Å; R345-M406 HydrophobicContact CG-CB 4.18Å
346L89.7Confident87.7Confident25 Ų2546.9 Ų46.913%0.13124%0.236CC..Hα-helixtrans-64.7-46.1-179.5-74.5167.1000111.9K342 L343 F344 L350 V365 D368 L369K342-L346 HydrophobicContact CG-CD1 4.2Å; K342-L346 WeakPolarHBondContact O-CB 3.41Å; K342-L346 WeakPolarHBondContact O-CD1 3.41Å; K342-L346 VanDerWaalsContact O-CG 3.22Å; K342-L346 WeakPolarHBondContact O-CG 3.41Å; K342-L346 PolarHBondContact O-N 2.97Å; L343-L346 PolarHBondContact O-N 2.85Å; F344-L346 VanDerWaalsContact C-N 3.33Å; F344-L346 PolarHBondContact O-N 3.29Å; L346-L350 WeakPolarHBondContact O-CD1 3.18Å; L346-L350 WeakPolarHBondContact O-CG 3.41Å; L346-L350 PolarHBondContact O-N 3.07Å; L346-V365 HydrophobicContact CB-CG1 4.13Å; L346-V365 HydrophobicContact CD1-CG1 4.28Å; L346-D368 HydrophobicContact CD1-CB 3.74Å; L346-D368 HydrophobicContact CD2-CB 3.77Å; L346-D368 HydrophobicContact CG-CB 4.43Å; L346-L369 HydrophobicContact CD1-CD2 4.17Å; L346-L369 HydrophobicContact CD1-CG 4.09Å
347V90.6Very high87.7Confident0 Ų050.7 Ų50.70%026%0.258CS..Hα-helixtrans-70.4-40.6178.81700000111.6L343 F344 K349 L350 G351 G352 I356 W362 V365 Y386L343-V347 HydrophobicContact CD1-CG2 4.15Å; L343-V347 PolarHBondContact O-N 2.77Å; L343-V347 VanDerWaalsContact O-N 3.12Å; F344-V347 PolarHBondContact O-N 3.08Å; V347-K349 VanDerWaalsContact C-N 3.35Å; V347-K349 PolarHBondContact O-N 2.82Å; V347-L350 CarbonylContact O-C 3.54Å; V347-L350 WeakPolarHBondContact O-CA 3.39Å; V347-L350 WeakPolarHBondContact O-CB 3.32Å; V347-L350 PolarHBondContact O-N 3.1Å; V347-G351 PolarHBondContact O-N 2.85Å; V347-G352 PolarHBondContact O-N 3.01Å; V347-I356 HydrophobicContact CB-CD1 4.24Å; V347-I356 HydrophobicContact CG1-CD1 3.81Å; V347-I356 HydrophobicContact CG2-CD1 4.11Å; V347-W362 HydrophobicContact CG1-CH2 4.23Å; V347-W362 HydrophobicContact CG2-CH2 3.84Å; V347-W362 HydrophobicContact CG2-CZ3 3.61Å; V347-V365 HydrophobicContact CG2-CG1 4.26Å; V347-Y386 HydrophobicContact CB-CD2 4.1Å; V347-Y386 HydrophobicContact CB-CE2 3.44Å; V347-Y386 VanDerWaalsContact CB-CE2 3.44Å; V347-Y386 HydrophobicContact CG1-CD2 4.28Å; V347-Y386 HydrophobicContact CG1-CE1 4.16Å; V347-Y386 HydrophobicContact CG1-CE2 3.61Å; V347-Y386 WeakPolarHBondContact CG1-OH 3.35Å; V347-Y386 HydrophobicContact CG2-CD2 3.64Å; V347-Y386 HydrophobicContact CG2-CE2 3.53Å
348H87.6Confident87.8Confident91 Ų9148.9 Ų48.942%0.42125%0.254SS..Hα-helixtrans-61.6-41.2175.7-170.7-87.7000112.1F344 L350 G351 M406F344-H348 VanDerWaalsContact O-CB 3.25Å; F344-H348 WeakPolarHBondContact O-CB 3.39Å; F344-H348 PolarHBondContact O-N 2.92Å; H348-L350 PolarHBondContact O-N 3.3Å; H348-G351 PolarHBondContact O-N 2.87Å; H348-M406 HydrophobicContact CB-CE 4.05Å; H348-M406 HydrophobicContact CB-SD 4.19Å; H348-M406 VanDerWaalsContact CG-CE 3.42Å; H348-M406 WeakPolarHBondContact ND1-CE 3.46Å
349K87.4Confident87.8Confident179 Ų17950.6 Ų50.678%0.77828%0.275SS*.Hα-helixtrans-60.5-26.2173.4-174.9178.1179.5-177.20113.1R345 V347 G351R345-K349 VanDerWaalsContact O-CB 3.31Å; R345-K349 WeakPolarHBondContact O-CB 3.28Å; R345-K349 PolarHBondContact O-N 3.31Å; V347-K349 VanDerWaalsContact C-N 3.35Å; V347-K349 PolarHBondContact O-N 2.82Å; K349-G351 VanDerWaalsContact C-N 3.33Å
350L86.9Confident87.8Confident80 Ų8052 Ų5242%0.41929%0.293SS..THydrogen-bonded Turntrans-90.46176.3-65.5165.4000113L346 V347 H348 I356 V361 V365L346-L350 WeakPolarHBondContact O-CD1 3.18Å; L346-L350 WeakPolarHBondContact O-CG 3.41Å; L346-L350 PolarHBondContact O-N 3.07Å; V347-L350 CarbonylContact O-C 3.54Å; V347-L350 WeakPolarHBondContact O-CA 3.39Å; V347-L350 WeakPolarHBondContact O-CB 3.32Å; V347-L350 PolarHBondContact O-N 3.1Å; H348-L350 PolarHBondContact O-N 3.3Å; L350-I356 HydrophobicContact CB-CD1 3.77Å; L350-I356 HydrophobicContact CB-CG1 4.12Å; L350-I356 HydrophobicContact CD1-CD1 3.9Å; L350-V361 HydrophobicContact CD1-CG1 3.65Å; L350-V361 HydrophobicContact CD2-CG1 4.28Å; L350-V361 HydrophobicContact CG-CG1 4.5Å; L350-V365 HydrophobicContact CD1-CG2 3.53Å
351G83.1Confident87.9Confident40 Ų4054.1 Ų54.141%0.41231%0.306SS..THydrogen-bonded Turntrans98.19.8178.300000115.2V347 H348 K349 N355V347-G351 PolarHBondContact O-N 2.85Å; H348-G351 PolarHBondContact O-N 2.87Å; K349-G351 VanDerWaalsContact C-N 3.33Å; G351-N355 PolarHBondContact O-ND2 2.89Å
352G87.6Confident88.2Confident2 Ų253.8 Ų53.82%0.02131%0.305CS..  trans89.4172.7-177.200000113.5V347 D354 N355 I356 E394V347-G352 PolarHBondContact O-N 3.01Å; G352-D354 VanDerWaalsContact C-N 3.33Å; G352-D354 PolarHBondContact O-N 3.11Å; G352-N355 PolarHBondContact O-N 2.85Å; G352-I356 WeakPolarHBondContact O-CG1 3.39Å; G352-E394 WeakPolarHBondContact CA-OE1 3.45Å
353F87.5Confident88.3Confident19 Ų1956.2 Ų56.28%0.08332%0.315CS..G310 helixtrans-58.4-41.8-170.7-178.9-94.1000113.7N355 I356 W362 K383 Y386 K387 Y391 E394F353-N355 VanDerWaalsContact C-N 3.31Å; F353-N355 PolarHBondContact O-N 2.84Å; F353-I356 PolarHBondContact O-N 2.65Å; F353-I356 VanDerWaalsContact O-N 3.1Å; F353-W362 AromaticContact CD2-CH2 3.47Å; F353-W362 HydrophobicContact CD2-CH2 3.47Å; F353-W362 VanDerWaalsContact CD2-CH2 3.47Å; F353-W362 AromaticContact CD2-CZ2 3.54Å; F353-W362 HydrophobicContact CD2-CZ2 3.54Å; F353-W362 AromaticContact CE2-CH2 3.9Å; F353-W362 HydrophobicContact CE2-CH2 3.9Å; F353-W362 AromaticContact CE2-CZ2 3.75Å; F353-W362 HydrophobicContact CE2-CZ2 3.75Å; F353-W362 HydrophobicContact CG-CH2 4.43Å; F353-W362 HydrophobicContact CG-CZ2 4.31Å; F353-K383 HydrophobicContact CE2-CG 3.82Å; F353-K383 HydrophobicContact CZ-CG 4.06Å; F353-Y386 HydrophobicContact CB-CD1 4.17Å; F353-Y386 HydrophobicContact CB-CE1 3.8Å; F353-Y386 AromaticContact CD2-CD1 3.37Å; F353-Y386 HydrophobicContact CD2-CD1 3.37Å; F353-Y386 AromaticContact CD2-CE1 3.93Å; F353-Y386 HydrophobicContact CD2-CE1 3.93Å; F353-Y386 HydrophobicContact CD2-CG 4.11Å; F353-Y386 HydrophobicContact CE2-CD1 4.12Å; F353-Y386 HydrophobicContact CG-CD1 4.14Å; F353-Y386 HydrophobicContact CG-CE1 4.27Å; F353-K387 HydrophobicContact CE2-CB 4.12Å; F353-K387 HydrophobicContact CZ-CB 4.1Å; F353-K387 HydrophobicContact CZ-CD 4.26Å; F353-K387 HydrophobicContact CZ-CG 4.43Å; F353-Y391 HydrophobicContact CB-CD2 3.79Å; F353-Y391 HydrophobicContact CB-CE2 4.28Å; F353-Y391 AromaticContact CD1-CD2 3.45Å; F353-Y391 HydrophobicContact CD1-CD2 3.45Å; F353-Y391 VanDerWaalsContact CD1-CD2 3.45Å; F353-Y391 AromaticContact CD1-CE2 3.53Å; F353-Y391 HydrophobicContact CD1-CE2 3.53Å; F353-Y391 HydrophobicContact CD2-CD2 4.35Å; F353-Y391 HydrophobicContact CE1-CD2 4.07Å; F353-Y391 HydrophobicContact CE1-CE2 4.14Å; F353-Y391 AromaticContact CG-CD2 3.62Å; F353-Y391 HydrophobicContact CG-CD2 3.62Å; F353-Y391 HydrophobicContact CG-CE2 4.12Å; F353-E394 WeakPolarHBondContact CB-OE2 3.48Å; F353-E394 PolarHBondContact N-OE1 2.83Å; F353-E394 PolarHBondContact N-OE2 2.88Å
354D85.9Confident88.3Confident71 Ų7160.5 Ų60.538%0.3834%0.335SS..G310 helixtrans-70.9-27.2-171.3-54-56.3000112.7G352 I356 R398G352-D354 VanDerWaalsContact C-N 3.33Å; G352-D354 PolarHBondContact O-N 3.11Å; D354-I356 VanDerWaalsContact C-N 3.25Å; D354-I356 PolarHBondContact O-N 2.84Å; D354-R398 IonicContact OD2-CZ 2.72Å; D354-R398 VanDerWaalsContact OD2-CZ 3.29Å; D354-R398 IonicContact OD2-NH1 3.29Å; D354-R398 PolarHBondContact OD2-NH1 3.46Å; D354-R398 IonicContact OD2-NH2 2.7Å; D354-R398 PolarHBondContact OD2-NH2 3.38Å
355N87.3Confident88.4Confident122 Ų12260.3 Ų60.365%0.65234%0.335SS*.G310 helixtrans-77.3-8.4174.6-75.7-61.8000113.1G351 G352 F353G351-N355 PolarHBondContact O-ND2 2.89Å; G352-N355 PolarHBondContact O-N 2.85Å; F353-N355 VanDerWaalsContact C-N 3.31Å; F353-N355 PolarHBondContact O-N 2.84Å
356I89.5Confident88.5Confident6 Ų659.6 Ų59.63%0.03133%0.332CS..  trans-106.276.2-178.1-45.4175.5000111.5V347 L350 G352 F353 D354 V361 W362V347-I356 HydrophobicContact CB-CD1 4.24Å; V347-I356 HydrophobicContact CG1-CD1 3.81Å; V347-I356 HydrophobicContact CG2-CD1 4.11Å; L350-I356 HydrophobicContact CB-CD1 3.77Å; L350-I356 HydrophobicContact CB-CG1 4.12Å; L350-I356 HydrophobicContact CD1-CD1 3.9Å; G352-I356 WeakPolarHBondContact O-CG1 3.39Å; F353-I356 PolarHBondContact O-N 2.65Å; F353-I356 VanDerWaalsContact O-N 3.1Å; D354-I356 VanDerWaalsContact C-N 3.25Å; D354-I356 PolarHBondContact O-N 2.84Å; I356-V361 HydrophobicContact CG2-CB 3.68Å; I356-V361 HydrophobicContact CG2-CG1 3.58Å; I356-W362 HydrophobicContact CB-CZ2 3.72Å; I356-W362 HydrophobicContact CD1-CH2 4.11Å; I356-W362 HydrophobicContact CD1-CZ2 4.08Å; I356-W362 HydrophobicContact CG1-CZ2 4.44Å; I356-W362 HydrophobicContact CG2-CD2 4.09Å; I356-W362 HydrophobicContact CG2-CG 4.15Å; I356-W362 HydrophobicContact CG2-CZ2 4.01Å; I356-W362 VanDerWaalsContact CG2-NE1 3.25Å; I356-W362 PolarHBondContact O-NE1 3.33Å
357E84.4Confident88.5Confident171 Ų17162.7 Ų62.780%0.79935%0.346SS*.  trans-73.9-37.2170.6-61.3-173.1158.600112.2G359E357-G359 PolarHBondContact O-N 3.2Å
358S87.1Confident88.5Confident73 Ų7365.8 Ų65.851%0.5136%0.363SS..  trans-72.4116.1-170.7-78.80000113.7A360 V361 W362S358-A360 PolarHBondContact O-N 3.5Å; S358-A360 VanDerWaalsContact O-N 3.12Å; S358-V361 WeakPolarHBondContact O-CB 3.18Å; S358-V361 PolarHBondContact O-N 3.25Å; S358-W362 PolarHBondContact O-N 2.98Å
359G85.3Confident88.5Confident50 Ų5062.4 Ų62.452%0.51535%0.347SS..Hα-helixtrans-58.5-23.9174.800000114.8E357 K363E357-G359 PolarHBondContact O-N 3.2Å; G359-K363 PolarHBondContact O-N 3.02Å
360A89.1Confident88.4Confident78 Ų7855.4 Ų55.465%0.64533%0.326SS*.Hα-helixtrans-66.7-37.2172.400000112.7S358 K363 Q364S358-A360 PolarHBondContact O-N 3.5Å; S358-A360 VanDerWaalsContact O-N 3.12Å; A360-K363 WeakPolarHBondContact O-CB 3.45Å; A360-K363 PolarHBondContact O-N 3.17Å; A360-Q364 PolarHBondContact O-N 2.92Å
361V92.1Very high88.3Confident50 Ų5052 Ų5230%0.30331%0.308SS..Hα-helixtrans-70.3-41.1176.9179.90000110.1L350 I356 S358 K363 Q364 V365L350-V361 HydrophobicContact CD1-CG1 3.65Å; L350-V361 HydrophobicContact CD2-CG1 4.28Å; L350-V361 HydrophobicContact CG-CG1 4.5Å; I356-V361 HydrophobicContact CG2-CB 3.68Å; I356-V361 HydrophobicContact CG2-CG1 3.58Å; S358-V361 WeakPolarHBondContact O-CB 3.18Å; S358-V361 PolarHBondContact O-N 3.25Å; V361-K363 VanDerWaalsContact C-N 3.26Å; V361-K363 PolarHBondContact O-N 3.27Å; V361-Q364 WeakPolarHBondContact O-CA 3.36Å; V361-Q364 WeakPolarHBondContact O-CB 3.37Å; V361-Q364 PolarHBondContact O-N 3.3Å; V361-V365 WeakPolarHBondContact O-CG2 3.46Å; V361-V365 PolarHBondContact O-N 3.03Å
362W92.6Very high88.4Confident1 Ų153.1 Ų53.10%0.00431%0.308CS..Hα-helixtrans-59-37170.4-70.8105.4000112.7V347 F353 I356 S358 V365 Y366 G379 V382 K383 Y386V347-W362 HydrophobicContact CG1-CH2 4.23Å; V347-W362 HydrophobicContact CG2-CH2 3.84Å; V347-W362 HydrophobicContact CG2-CZ3 3.61Å; F353-W362 AromaticContact CD2-CH2 3.47Å; F353-W362 HydrophobicContact CD2-CH2 3.47Å; F353-W362 VanDerWaalsContact CD2-CH2 3.47Å; F353-W362 AromaticContact CD2-CZ2 3.54Å; F353-W362 HydrophobicContact CD2-CZ2 3.54Å; F353-W362 AromaticContact CE2-CH2 3.9Å; F353-W362 HydrophobicContact CE2-CH2 3.9Å; F353-W362 AromaticContact CE2-CZ2 3.75Å; F353-W362 HydrophobicContact CE2-CZ2 3.75Å; F353-W362 HydrophobicContact CG-CH2 4.43Å; F353-W362 HydrophobicContact CG-CZ2 4.31Å; I356-W362 HydrophobicContact CB-CZ2 3.72Å; I356-W362 HydrophobicContact CD1-CH2 4.11Å; I356-W362 HydrophobicContact CD1-CZ2 4.08Å; I356-W362 HydrophobicContact CG1-CZ2 4.44Å; I356-W362 HydrophobicContact CG2-CD2 4.09Å; I356-W362 HydrophobicContact CG2-CG 4.15Å; I356-W362 HydrophobicContact CG2-CZ2 4.01Å; I356-W362 VanDerWaalsContact CG2-NE1 3.25Å; I356-W362 PolarHBondContact O-NE1 3.33Å; S358-W362 PolarHBondContact O-N 2.98Å; W362-V365 PolarHBondContact O-N 2.87Å; W362-Y366 PolarHBondContact O-N 3.34Å; W362-Y366 VanDerWaalsContact O-N 3.08Å; W362-G379 WeakPolarHBondContact CB-O 3.45Å; W362-V382 HydrophobicContact CB-CG1 4.22Å; W362-V382 HydrophobicContact CE3-CG1 4.11Å; W362-V382 VanDerWaalsContact O-CG1 3.23Å; W362-V382 WeakPolarHBondContact O-CG1 3.45Å; W362-K383 HydrophobicContact CD2-CB 3.8Å; W362-K383 HydrophobicContact CD2-CD 4.38Å; W362-K383 HydrophobicContact CD2-CG 4.06Å; W362-K383 HydrophobicContact CE3-CB 4.12Å; W362-K383 HydrophobicContact CG-CB 4.06Å; W362-K383 HydrophobicContact CG-CD 4.39Å; W362-K383 HydrophobicContact CG-CG 4.46Å; W362-K383 HydrophobicContact CZ2-CD 4.49Å; W362-K383 HydrophobicContact CZ2-CG 4.1Å; W362-Y386 HydrophobicContact CH2-CD1 4.48Å; W362-Y386 HydrophobicContact CH2-CD2 4.5Å; W362-Y386 HydrophobicContact CH2-CG 4.14Å; W362-Y386 HydrophobicContact CZ3-CD2 4.38Å; W362-Y386 HydrophobicContact CZ3-CG 4.23Å
363K90.5Very high88.3Confident97 Ų9755.3 Ų55.342%0.42232%0.321SS..Hα-helixtrans-65.8-36.4172.7-170.1-174.1178.8-171.50112.1G359 A360 V361 Y366 Q367G359-K363 PolarHBondContact O-N 3.02Å; A360-K363 WeakPolarHBondContact O-CB 3.45Å; A360-K363 PolarHBondContact O-N 3.17Å; V361-K363 VanDerWaalsContact C-N 3.26Å; V361-K363 PolarHBondContact O-N 3.27Å; K363-Y366 WeakPolarHBondContact O-CB 3.48Å; K363-Y366 PolarHBondContact O-N 2.89Å; K363-Q367 WeakPolarHBondContact O-CG 3.48Å; K363-Q367 PolarHBondContact O-N 2.79Å
364Q91.6Very high88Confident90 Ų9060.8 Ų60.842%0.42135%0.35SS..Hα-helixtrans-64.7-47.3173.5-17162.453.200111.3A360 V361 Y366 Q367 D368A360-Q364 PolarHBondContact O-N 2.92Å; V361-Q364 WeakPolarHBondContact O-CA 3.36Å; V361-Q364 WeakPolarHBondContact O-CB 3.37Å; V361-Q364 PolarHBondContact O-N 3.3Å; Q364-Y366 PolarHBondContact O-N 3.5Å; Q364-Q367 CarbonylContact O-C 3.54Å; Q364-Q367 WeakPolarHBondContact O-CA 3.36Å; Q364-Q367 WeakPolarHBondContact O-CB 3.48Å; Q364-Q367 PolarHBondContact O-N 3.23Å; Q364-D368 PolarHBondContact NE2-OD1 3.35Å; Q364-D368 VanDerWaalsContact O-CG 3.31Å; Q364-D368 PolarHBondContact O-N 2.83Å
365V91.9Very high87.8Confident0 Ų061.2 Ų61.20%035%0.353CS..Hα-helixtrans-56.5-37.4175.5174.60000111.6L343 L346 V347 L350 V361 W362 Q367 D368 L369 V382L343-V365 HydrophobicContact CD1-CG1 3.56Å; L346-V365 HydrophobicContact CB-CG1 4.13Å; L346-V365 HydrophobicContact CD1-CG1 4.28Å; V347-V365 HydrophobicContact CG2-CG1 4.26Å; L350-V365 HydrophobicContact CD1-CG2 3.53Å; V361-V365 WeakPolarHBondContact O-CG2 3.46Å; V361-V365 PolarHBondContact O-N 3.03Å; W362-V365 PolarHBondContact O-N 2.87Å; V365-Q367 VanDerWaalsContact C-N 3.35Å; V365-Q367 PolarHBondContact O-N 3.43Å; V365-D368 PolarHBondContact O-N 2.86Å; V365-L369 WeakPolarHBondContact O-CG 3.3Å; V365-L369 PolarHBondContact O-N 2.8Å; V365-L369 VanDerWaalsContact O-N 3.1Å; V365-V382 HydrophobicContact CG1-CG2 4.24Å
366Y90.5Very high87.7Confident7 Ų761.5 Ų61.53%0.02736%0.364CS..Hα-helixtrans-63.5-37.4174-165.1-77.3000112.9L333 G334 W362 K363 Q364 I371 V373 A378 V382L333-Y366 HydrophobicContact CD1-CE2 4.3Å; L333-Y366 HydrophobicContact CD2-CD2 4.09Å; L333-Y366 HydrophobicContact CD2-CE2 3.83Å; L333-Y366 HydrophobicContact CG-CE2 3.85Å; G334-Y366 WeakPolarHBondContact CA-OH 3.35Å; W362-Y366 PolarHBondContact O-N 3.34Å; W362-Y366 VanDerWaalsContact O-N 3.08Å; K363-Y366 WeakPolarHBondContact O-CB 3.48Å; K363-Y366 PolarHBondContact O-N 2.89Å; Q364-Y366 PolarHBondContact O-N 3.5Å; Y366-I371 HydrophobicContact CD1-CB 3.97Å; Y366-I371 HydrophobicContact CD1-CG2 4.36Å; Y366-I371 WeakPolarHBondContact CD1-O 3.14Å; Y366-I371 HydrophobicContact CE1-CB 3.56Å; Y366-I371 HydrophobicContact CE1-CG2 3.46Å; Y366-I371 VanDerWaalsContact CE1-CG2 3.46Å; Y366-I371 VanDerWaalsContact CE1-O 3.32Å; Y366-I371 WeakPolarHBondContact CE1-O 3.21Å; Y366-I371 PolarHBondContact O-N 3.47Å; Y366-I371 WeakPolarHBondContact OH-CG2 3.48Å; Y366-V373 HydrophobicContact CD1-CG2 3.68Å; Y366-V373 HydrophobicContact CE1-CG2 4.16Å; Y366-A378 HydrophobicContact CD1-CB 3.89Å; Y366-A378 HydrophobicContact CD2-CB 3.77Å; Y366-A378 WeakPolarHBondContact CD2-O 3.41Å; Y366-A378 HydrophobicContact CE1-CB 3.91Å; Y366-A378 HydrophobicContact CE2-CB 3.83Å; Y366-A378 HydrophobicContact CG-CB 3.81Å; Y366-V382 HydrophobicContact CD2-CB 3.98Å; Y366-V382 HydrophobicContact CD2-CG1 4.11Å
367Q90.2Very high87.5Confident89 Ų8963.2 Ų63.242%0.41638%0.379SS..Hα-helixtrans-72.4-42.9176.3-69.5176.1-16.700111.7K363 Q364 V365 L369 G370 V373K363-Q367 WeakPolarHBondContact O-CG 3.48Å; K363-Q367 PolarHBondContact O-N 2.79Å; Q364-Q367 CarbonylContact O-C 3.54Å; Q364-Q367 WeakPolarHBondContact O-CA 3.36Å; Q364-Q367 WeakPolarHBondContact O-CB 3.48Å; Q364-Q367 PolarHBondContact O-N 3.23Å; V365-Q367 VanDerWaalsContact C-N 3.35Å; V365-Q367 PolarHBondContact O-N 3.43Å; Q367-L369 PolarHBondContact O-N 2.88Å; Q367-G370 WeakPolarHBondContact O-CA 3.49Å; Q367-G370 PolarHBondContact O-N 3.12Å; Q367-V373 HydrophobicContact CG-CG2 3.5Å
368D90.1Very high87.7Confident66 Ų6655.1 Ų55.135%0.35334%0.342SS..Hα-helixtrans-66.5-24.3179.8-61.9-9.9000112.4K342 L346 Q364 V365 G370K342-D368 WeakPolarHBondContact CE-O 3.34Å; K342-D368 PolarHBondContact NZ-O 2.81Å; K342-D368 VanDerWaalsContact NZ-O 3.15Å; L346-D368 HydrophobicContact CD1-CB 3.74Å; L346-D368 HydrophobicContact CD2-CB 3.77Å; L346-D368 HydrophobicContact CG-CB 4.43Å; Q364-D368 PolarHBondContact NE2-OD1 3.35Å; Q364-D368 VanDerWaalsContact O-CG 3.31Å; Q364-D368 PolarHBondContact O-N 2.83Å; V365-D368 PolarHBondContact O-N 2.86Å; D368-G370 PolarHBondContact O-N 2.97Å
369L88.4Confident87.8Confident20 Ų2052 Ų5211%0.10532%0.321CS..THydrogen-bonded Turntrans-67.9-10.7167.6-78.6173000113.8L338 K342 L343 L346 V365 Q367 I371 V382L338-L369 HydrophobicContact CD1-CD1 3.74Å; K342-L369 HydrophobicContact CB-CD2 4.23Å; K342-L369 HydrophobicContact CD-CD2 4.38Å; K342-L369 HydrophobicContact CG-CD2 4.11Å; L343-L369 HydrophobicContact CB-CD1 4.43Å; L343-L369 HydrophobicContact CB-CD2 4.04Å; L343-L369 HydrophobicContact CD1-CD1 4.15Å; L346-L369 HydrophobicContact CD1-CD2 4.17Å; L346-L369 HydrophobicContact CD1-CG 4.09Å; V365-L369 WeakPolarHBondContact O-CG 3.3Å; V365-L369 PolarHBondContact O-N 2.8Å; V365-L369 VanDerWaalsContact O-N 3.1Å; Q367-L369 PolarHBondContact O-N 2.88Å; L369-I371 HydrophobicContact CB-CD1 4.13Å; L369-I371 HydrophobicContact CB-CG1 4.06Å; L369-I371 HydrophobicContact CD1-CD1 4.23Å; L369-V382 HydrophobicContact CD1-CG2 4.23Å
370G84.3Confident88Confident32 Ų3257.3 Ų57.333%0.3333%0.327SS..THydrogen-bonded Turntrans74.724.7-175.100000113.2R336 Q367 D368R336-G370 PolarHBondContact NH1-O 2.92Å; Q367-G370 WeakPolarHBondContact O-CA 3.49Å; Q367-G370 PolarHBondContact O-N 3.12Å; D368-G370 PolarHBondContact O-N 2.97Å
371I86.5Confident88.1Confident8 Ų856.2 Ų56.24%0.04131%0.31CS..  trans-99.5123.1178.8-51.3173.7000109L333 R336 L338 Y366 L369 V373L333-I371 HydrophobicContact CB-CD1 4.1Å; L333-I371 HydrophobicContact CD2-CD1 4.03Å; L333-I371 HydrophobicContact CG-CD1 4.18Å; R336-I371 HydrophobicContact CB-CG1 4.49Å; L338-I371 HydrophobicContact CD1-CD1 4.38Å; Y366-I371 HydrophobicContact CD1-CB 3.97Å; Y366-I371 HydrophobicContact CD1-CG2 4.36Å; Y366-I371 WeakPolarHBondContact CD1-O 3.14Å; Y366-I371 HydrophobicContact CE1-CB 3.56Å; Y366-I371 HydrophobicContact CE1-CG2 3.46Å; Y366-I371 VanDerWaalsContact CE1-CG2 3.46Å; Y366-I371 VanDerWaalsContact CE1-O 3.32Å; Y366-I371 WeakPolarHBondContact CE1-O 3.21Å; Y366-I371 PolarHBondContact O-N 3.47Å; Y366-I371 WeakPolarHBondContact OH-CG2 3.48Å; L369-I371 HydrophobicContact CB-CD1 4.13Å; L369-I371 HydrophobicContact CB-CG1 4.06Å; L369-I371 HydrophobicContact CD1-CD1 4.23Å; I371-V373 PolarHBondContact O-N 2.87Å
372P84Confident88.1Confident64 Ų6453.9 Ų53.942%0.41630%0.295SS..  trans-56.5126.3178.9-27.635.7000112.4L374P372-L374 VanDerWaalsContact C-N 3.29Å; P372-L374 HydrophobicContact CB-CD2 4.2Å; P372-L374 HydrophobicContact CB-CG 4.28Å; P372-L374 PolarHBondContact O-N 2.85Å
373V84.9Confident88Confident47 Ų4757 Ų5729%0.28531%0.309SS..  trans-78.380.4179.1-179.60000109.8Y366 Q367 I371 A378Y366-V373 HydrophobicContact CD1-CG2 3.68Å; Y366-V373 HydrophobicContact CE1-CG2 4.16Å; Q367-V373 HydrophobicContact CG-CG2 3.5Å; I371-V373 PolarHBondContact O-N 2.87Å; V373-A378 HydrophobicContact CG1-CB 3.89Å; V373-A378 HydrophobicContact CG2-CB 4.44Å
374L81.4Confident88Confident134 Ų13454.8 Ų54.870%0.70231%0.306SS*.  trans-77.6-17.6-179.3-60177.7000113.6P372P372-L374 VanDerWaalsContact C-N 3.29Å; P372-L374 HydrophobicContact CB-CD2 4.2Å; P372-L374 HydrophobicContact CB-CG 4.28Å; P372-L374 PolarHBondContact O-N 2.85Å
375N82.8Confident88Confident81 Ų8151.1 Ų51.143%0.43329%0.291SS..SBendtrans-145.7158.418064.741.7000113A377 A378N375-A377 PolarHBondContact O-N 2.81Å; N375-A377 WeakPolarHBondContact OD1-CA 3.41Å; N375-A377 WeakPolarHBondContact OD1-CB 3.32Å; N375-A377 PolarHBondContact OD1-N 3.08Å; N375-A377 VanDerWaalsContact OD1-N 3.17Å; N375-A378 WeakPolarHBondContact O-CB 3.42Å; N375-A378 PolarHBondContact O-N 2.84Å; N375-A378 PolarHBondContact OD1-N 3.38Å
376S84Confident88Confident128 Ų12851.1 Ų51.190%0.89529%0.291SS*.THydrogen-bonded Turntrans-64.7-17.2176.1-53.10000113.6A378S376-A378 VanDerWaalsContact C-N 3.31Å; S376-A378 PolarHBondContact O-N 2.82Å
377A86.8Confident88Confident42 Ų4257 Ų5735%0.34732%0.316SS..THydrogen-bonded Turntrans-80.9-4.7178.600000113.7N375 G379 Y380 N381N375-A377 PolarHBondContact O-N 2.81Å; N375-A377 WeakPolarHBondContact OD1-CA 3.41Å; N375-A377 WeakPolarHBondContact OD1-CB 3.32Å; N375-A377 PolarHBondContact OD1-N 3.08Å; N375-A377 VanDerWaalsContact OD1-N 3.17Å; A377-G379 VanDerWaalsContact C-N 3.33Å; A377-G379 PolarHBondContact O-N 2.94Å; A377-Y380 WeakPolarHBondContact O-CB 3.06Å; A377-Y380 PolarHBondContact O-N 3.38Å; A377-N381 VanDerWaalsContact O-CG 3.31Å; A377-N381 PolarHBondContact O-N 2.84Å; A377-N381 PolarHBondContact O-ND2 3.02Å
378A88.8Confident87.8Confident1 Ų158.9 Ų58.91%0.00832%0.323CS..Hα-helixtrans-48.8-49.3-17800000113.3Y366 V373 N375 S376 Y380 N381 V382Y366-A378 HydrophobicContact CD1-CB 3.89Å; Y366-A378 HydrophobicContact CD2-CB 3.77Å; Y366-A378 WeakPolarHBondContact CD2-O 3.41Å; Y366-A378 HydrophobicContact CE1-CB 3.91Å; Y366-A378 HydrophobicContact CE2-CB 3.83Å; Y366-A378 HydrophobicContact CG-CB 3.81Å; V373-A378 HydrophobicContact CG1-CB 3.89Å; V373-A378 HydrophobicContact CG2-CB 4.44Å; N375-A378 WeakPolarHBondContact O-CB 3.42Å; N375-A378 PolarHBondContact O-N 2.84Å; N375-A378 PolarHBondContact OD1-N 3.38Å; S376-A378 VanDerWaalsContact C-N 3.31Å; S376-A378 PolarHBondContact O-N 2.82Å; A378-Y380 PolarHBondContact O-N 3.2Å; A378-N381 PolarHBondContact O-N 2.85Å; A378-V382 PolarHBondContact O-N 2.58Å
379G88.7Confident87.7Confident7 Ų757.7 Ų57.77%0.07231%0.314CS..Hα-helixtrans-61.2-39.3177.100000113.7W362 A377 V382 K383W362-G379 WeakPolarHBondContact CB-O 3.45Å; A377-G379 VanDerWaalsContact C-N 3.33Å; A377-G379 PolarHBondContact O-N 2.94Å; G379-V382 WeakPolarHBondContact O-CG1 3.45Å; G379-K383 WeakPolarHBondContact O-CB 3.28Å; G379-K383 PolarHBondContact O-N 2.83Å; G379-K383 VanDerWaalsContact O-N 3.08Å
380Y89.6Confident87.8Confident162 Ų16256.7 Ų56.764%0.63531%0.309SS*.Hα-helixtrans-67.3-41.7174.5179.5-98.6000111.5A377 A378 K383 C384A377-Y380 WeakPolarHBondContact O-CB 3.06Å; A377-Y380 PolarHBondContact O-N 3.38Å; A378-Y380 PolarHBondContact O-N 3.2Å; Y380-K383 PolarHBondContact O-N 2.99Å; Y380-C384 VanDerWaalsContact CE1-SG 3.5Å; Y380-C384 WeakPolarHBondContact O-CB 3.42Å; Y380-C384 PolarHBondContact O-N 2.8Å; Y380-C384 PolarHBondContact O-SG 3.03Å; Y380-C384 VanDerWaalsContact O-SG 3.41Å
381N90.6Very high88Confident55 Ų5557.5 Ų57.529%0.29430%0.302SS..Hα-helixtrans-64.9-41.2-178.8-65.6-31.2000112.1L333 A377 A378 A385L333-N381 HydrophobicContact CD1-CB 3.87Å; A377-N381 VanDerWaalsContact O-CG 3.31Å; A377-N381 PolarHBondContact O-N 2.84Å; A377-N381 PolarHBondContact O-ND2 3.02Å; A378-N381 PolarHBondContact O-N 2.85Å; N381-A385 WeakPolarHBondContact O-CB 3.46Å; N381-A385 PolarHBondContact O-N 2.89Å
382V92.1Very high88Confident0 Ų057.2 Ų57.20%030%0.301CS..Hα-helixtrans-69.9-38.417361.90000112.3L333 L343 W362 V365 Y366 L369 A378 G379 C384 A385 Y386L333-V382 HydrophobicContact CD2-CB 4.03Å; L333-V382 HydrophobicContact CD2-CG2 4.37Å; L343-V382 HydrophobicContact CD1-CG2 3.55Å; L343-V382 HydrophobicContact CD2-CG2 4.26Å; W362-V382 HydrophobicContact CB-CG1 4.22Å; W362-V382 HydrophobicContact CE3-CG1 4.11Å; W362-V382 VanDerWaalsContact O-CG1 3.23Å; W362-V382 WeakPolarHBondContact O-CG1 3.45Å; V365-V382 HydrophobicContact CG1-CG2 4.24Å; Y366-V382 HydrophobicContact CD2-CB 3.98Å; Y366-V382 HydrophobicContact CD2-CG1 4.11Å; L369-V382 HydrophobicContact CD1-CG2 4.23Å; A378-V382 PolarHBondContact O-N 2.58Å; G379-V382 WeakPolarHBondContact O-CG1 3.45Å; V382-C384 VanDerWaalsContact C-N 3.31Å; V382-C384 PolarHBondContact O-N 2.98Å; V382-A385 PolarHBondContact O-N 2.91Å; V382-Y386 WeakPolarHBondContact O-CB 3.35Å; V382-Y386 PolarHBondContact O-N 3.31Å
383K91.2Very high88.1Confident67 Ų6754.2 Ų54.229%0.29128%0.281SS..Hα-helixtrans-59.3-42.7174.1-172.1172.4-172.7159.70111.5F353 W362 G379 Y380 K387F353-K383 HydrophobicContact CE2-CG 3.82Å; F353-K383 HydrophobicContact CZ-CG 4.06Å; W362-K383 HydrophobicContact CD2-CB 3.8Å; W362-K383 HydrophobicContact CD2-CD 4.38Å; W362-K383 HydrophobicContact CD2-CG 4.06Å; W362-K383 HydrophobicContact CE3-CB 4.12Å; W362-K383 HydrophobicContact CG-CB 4.06Å; W362-K383 HydrophobicContact CG-CD 4.39Å; W362-K383 HydrophobicContact CG-CG 4.46Å; W362-K383 HydrophobicContact CZ2-CD 4.49Å; W362-K383 HydrophobicContact CZ2-CG 4.1Å; G379-K383 WeakPolarHBondContact O-CB 3.28Å; G379-K383 PolarHBondContact O-N 2.83Å; G379-K383 VanDerWaalsContact O-N 3.08Å; Y380-K383 PolarHBondContact O-N 2.99Å; K383-K387 WeakPolarHBondContact O-CB 3.45Å; K383-K387 PolarHBondContact O-N 2.71Å
384C90.8Very high88.3Confident51 Ų5152.4 Ų52.435%0.34527%0.27SS..Hα-helixtrans-67-41.2174.8-75.20000112.8Y380 V382 K387 K388Y380-C384 VanDerWaalsContact CE1-SG 3.5Å; Y380-C384 WeakPolarHBondContact O-CB 3.42Å; Y380-C384 PolarHBondContact O-N 2.8Å; Y380-C384 PolarHBondContact O-SG 3.03Å; Y380-C384 VanDerWaalsContact O-SG 3.41Å; V382-C384 VanDerWaalsContact C-N 3.31Å; V382-C384 PolarHBondContact O-N 2.98Å; C384-K387 PolarHBondContact O-N 2.61Å; C384-K388 VanDerWaalsContact O-CB 3.23Å; C384-K388 WeakPolarHBondContact O-CB 3.19Å; C384-K388 PolarHBondContact O-N 3.01Å
385A90.6Very high88.5Confident13 Ų1347.1 Ų47.111%0.10724%0.242CC..Hα-helixtrans-62.5-45.9174.700000111.2L338 N381 V382 K388 Y389L338-A385 HydrophobicContact CD2-CB 3.97Å; N381-A385 WeakPolarHBondContact O-CB 3.46Å; N381-A385 PolarHBondContact O-N 2.89Å; V382-A385 PolarHBondContact O-N 2.91Å; A385-K388 PolarHBondContact O-N 2.85Å; A385-Y389 VanDerWaalsContact O-CD2 3.24Å; A385-Y389 WeakPolarHBondContact O-CD2 3.41Å; A385-Y389 PolarHBondContact O-N 2.85Å
386Y92Very high88.6Confident0 Ų043.3 Ų43.30%022%0.221CC..Hα-helixtrans-59.2-51.5175.2-164-76.4000111.4L343 F344 V347 F353 W362 V382 K388 Y389 L390 Y391 E394L343-Y386 HydrophobicContact CD1-CD2 3.9Å; L343-Y386 HydrophobicContact CD2-CD2 4.05Å; L343-Y386 HydrophobicContact CG-CD2 3.73Å; L343-Y386 HydrophobicContact CG-CE2 4.3Å; F344-Y386 HydrophobicContact CD2-CE2 4.5Å; F344-Y386 WeakPolarHBondContact CD2-OH 3.32Å; V347-Y386 HydrophobicContact CB-CD2 4.1Å; V347-Y386 HydrophobicContact CB-CE2 3.44Å; V347-Y386 VanDerWaalsContact CB-CE2 3.44Å; V347-Y386 HydrophobicContact CG1-CD2 4.28Å; V347-Y386 HydrophobicContact CG1-CE1 4.16Å; V347-Y386 HydrophobicContact CG1-CE2 3.61Å; V347-Y386 WeakPolarHBondContact CG1-OH 3.35Å; V347-Y386 HydrophobicContact CG2-CD2 3.64Å; V347-Y386 HydrophobicContact CG2-CE2 3.53Å; F353-Y386 HydrophobicContact CB-CD1 4.17Å; F353-Y386 HydrophobicContact CB-CE1 3.8Å; F353-Y386 AromaticContact CD2-CD1 3.37Å; F353-Y386 HydrophobicContact CD2-CD1 3.37Å; F353-Y386 AromaticContact CD2-CE1 3.93Å; F353-Y386 HydrophobicContact CD2-CE1 3.93Å; F353-Y386 HydrophobicContact CD2-CG 4.11Å; F353-Y386 HydrophobicContact CE2-CD1 4.12Å; F353-Y386 HydrophobicContact CG-CD1 4.14Å; F353-Y386 HydrophobicContact CG-CE1 4.27Å; W362-Y386 HydrophobicContact CH2-CD1 4.48Å; W362-Y386 HydrophobicContact CH2-CD2 4.5Å; W362-Y386 HydrophobicContact CH2-CG 4.14Å; W362-Y386 HydrophobicContact CZ3-CD2 4.38Å; W362-Y386 HydrophobicContact CZ3-CG 4.23Å; V382-Y386 WeakPolarHBondContact O-CB 3.35Å; V382-Y386 PolarHBondContact O-N 3.31Å; Y386-K388 PolarHBondContact O-N 2.93Å; Y386-Y389 PolarHBondContact O-N 2.77Å; Y386-L390 HydrophobicContact CD1-CB 4.03Å; Y386-L390 HydrophobicContact CD2-CB 4.04Å; Y386-L390 HydrophobicContact CD2-CD1 3.64Å; Y386-L390 HydrophobicContact CD2-CG 4.45Å; Y386-L390 HydrophobicContact CE1-CB 3.87Å; Y386-L390 HydrophobicContact CE2-CB 3.86Å; Y386-L390 HydrophobicContact CE2-CD1 3.59Å; Y386-L390 HydrophobicContact CE2-CG 4.39Å; Y386-L390 HydrophobicContact CG-CB 4.12Å; Y386-L390 HydrophobicContact CG-CD1 4.39Å; Y386-L390 WeakPolarHBondContact O-CA 3.4Å; Y386-L390 PolarHBondContact O-N 2.63Å; Y386-Y391 PolarHBondContact O-N 2.79Å; Y386-E394 WeakPolarHBondContact CE1-OE2 3.3Å; Y386-E394 VanDerWaalsContact CZ-OE2 3.24Å; Y386-E394 PolarHBondContact OH-OE2 3.18Å
387K89.6Confident88.7Confident129 Ų12937.5 Ų37.556%0.56118%0.181SC*.Hα-helixtrans-58.7-35.5179.2-172.5166.6-178169.30112.6F353 K383 C384F353-K387 HydrophobicContact CE2-CB 4.12Å; F353-K387 HydrophobicContact CZ-CB 4.1Å; F353-K387 HydrophobicContact CZ-CD 4.26Å; F353-K387 HydrophobicContact CZ-CG 4.43Å; K383-K387 WeakPolarHBondContact O-CB 3.45Å; K383-K387 PolarHBondContact O-N 2.71Å; C384-K387 PolarHBondContact O-N 2.61Å
388K87.6Confident88.6Confident130 Ų13040.6 Ų40.657%0.56518%0.184SC*.Hα-helixtrans-76.5-41.6-179.1-176.2-179.2177-165.20113.9C384 A385 Y386C384-K388 VanDerWaalsContact O-CB 3.23Å; C384-K388 WeakPolarHBondContact O-CB 3.19Å; C384-K388 PolarHBondContact O-N 3.01Å; A385-K388 PolarHBondContact O-N 2.85Å; Y386-K388 PolarHBondContact O-N 2.93Å
389Y87.6Confident88.2Confident40 Ų4040.9 Ų40.916%0.15719%0.185CC..Hα-helixtrans-104.5-35.8-170.9-64.7-69.5000113.6M320 I327 P331 L340 A385 Y386M320-Y389 HydrophobicContact CE-CD1 3.94Å; M320-Y389 HydrophobicContact SD-CD1 4.01Å; M320-Y389 VanDerWaalsContact SD-O 3.38Å; I327-Y389 HydrophobicContact CD1-CD1 3.92Å; I327-Y389 HydrophobicContact CD1-CE1 4.48Å; I327-Y389 HydrophobicContact CG1-CD1 4.08Å; I327-Y389 HydrophobicContact CG1-CE1 4.29Å; P331-Y389 HydrophobicContact CB-CD2 4.19Å; P331-Y389 HydrophobicContact CB-CE1 4.45Å; P331-Y389 HydrophobicContact CB-CE2 3.78Å; P331-Y389 HydrophobicContact CG-CD1 4.06Å; P331-Y389 HydrophobicContact CG-CD2 4.2Å; P331-Y389 HydrophobicContact CG-CE1 3.84Å; P331-Y389 HydrophobicContact CG-CE2 4.01Å; P331-Y389 HydrophobicContact CG-CG 4.25Å; L340-Y389 HydrophobicContact CD2-CG 4.45Å; A385-Y389 VanDerWaalsContact O-CD2 3.24Å; A385-Y389 WeakPolarHBondContact O-CD2 3.41Å; A385-Y389 PolarHBondContact O-N 2.85Å; Y386-Y389 PolarHBondContact O-N 2.77Å
390L90.2Very high87.8Confident0 Ų040.5 Ų40.50%018%0.182CC..THydrogen-bonded Turntrans-112.9-34.8-166.8-65.4175.5000114.1F312 L316 L340 L343 F344 Y386 G392 F393 E394F312-L390 HydrophobicContact CE1-CD2 4.43Å; F312-L390 HydrophobicContact CZ-CD2 3.9Å; L316-L390 HydrophobicContact CD1-CD2 4.21Å; L316-L390 HydrophobicContact CD2-CD2 3.65Å; L340-L390 HydrophobicContact CB-CD2 4.39Å; L340-L390 HydrophobicContact CD2-CD1 4.45Å; L340-L390 HydrophobicContact CD2-CD2 4.43Å; L340-L390 HydrophobicContact CD2-CG 4.36Å; L343-L390 HydrophobicContact CB-CD1 4.1Å; L343-L390 HydrophobicContact CD2-CD1 3.7Å; L343-L390 HydrophobicContact CG-CD1 3.66Å; F344-L390 HydrophobicContact CB-CD1 4.09Å; F344-L390 HydrophobicContact CB-CD2 4.45Å; Y386-L390 HydrophobicContact CD1-CB 4.03Å; Y386-L390 HydrophobicContact CD2-CB 4.04Å; Y386-L390 HydrophobicContact CD2-CD1 3.64Å; Y386-L390 HydrophobicContact CD2-CG 4.45Å; Y386-L390 HydrophobicContact CE1-CB 3.87Å; Y386-L390 HydrophobicContact CE2-CB 3.86Å; Y386-L390 HydrophobicContact CE2-CD1 3.59Å; Y386-L390 HydrophobicContact CE2-CG 4.39Å; Y386-L390 HydrophobicContact CG-CB 4.12Å; Y386-L390 HydrophobicContact CG-CD1 4.39Å; Y386-L390 WeakPolarHBondContact O-CA 3.4Å; Y386-L390 PolarHBondContact O-N 2.63Å; L390-G392 PolarHBondContact O-N 3.11Å; L390-F393 CarbonylContact O-C 3.48Å; L390-F393 WeakPolarHBondContact O-CA 3.4Å; L390-F393 WeakPolarHBondContact O-CB 3.37Å; L390-F393 PolarHBondContact O-N 3.16Å; L390-E394 PolarHBondContact O-N 2.96Å
391Y88.8Confident87.3Confident49 Ų4936.7 Ų36.719%0.19217%0.172CC..Hα-helixtrans-55.7-48.3-172.5174.9-98.5000114.2F353 Y386 F393 E394 E395F353-Y391 HydrophobicContact CB-CD2 3.79Å; F353-Y391 HydrophobicContact CB-CE2 4.28Å; F353-Y391 AromaticContact CD1-CD2 3.45Å; F353-Y391 HydrophobicContact CD1-CD2 3.45Å; F353-Y391 VanDerWaalsContact CD1-CD2 3.45Å; F353-Y391 AromaticContact CD1-CE2 3.53Å; F353-Y391 HydrophobicContact CD1-CE2 3.53Å; F353-Y391 HydrophobicContact CD2-CD2 4.35Å; F353-Y391 HydrophobicContact CE1-CD2 4.07Å; F353-Y391 HydrophobicContact CE1-CE2 4.14Å; F353-Y391 AromaticContact CG-CD2 3.62Å; F353-Y391 HydrophobicContact CG-CD2 3.62Å; F353-Y391 HydrophobicContact CG-CE2 4.12Å; Y386-Y391 PolarHBondContact O-N 2.79Å; Y391-F393 PolarHBondContact O-N 2.7Å; Y391-E394 WeakPolarHBondContact O-CB 3.4Å; Y391-E394 PolarHBondContact O-N 3.42Å; Y391-E395 PolarHBondContact O-N 3.4Å
392G85.9Confident86.9Confident2 Ų234.5 Ų34.52%0.02116%0.16CC..Hα-helixtrans-66.4-23.8176.900000113.6F319 L390 Y396F319-G392 VanDerWaalsContact CE1-C 3.47Å; F319-G392 WeakPolarHBondContact CZ-O 3.21Å; L390-G392 PolarHBondContact O-N 3.11Å; G392-Y396 WeakPolarHBondContact O-CB 3.26Å; G392-Y396 PolarHBondContact O-N 2.86Å; G392-Y396 VanDerWaalsContact O-N 3.09Å
393F87.1Confident86Confident0 Ų041.4 Ų41.40%020%0.197CC..Hα-helixtrans-80.3-37.6173.7-175.5-101.7000111.7F312 Q315 L316 F319 L390 Y391 E395 Y396 C397 F404F312-F393 AromaticContact CD2-CE1 3.73Å; F312-F393 HydrophobicContact CD2-CE1 3.73Å; F312-F393 HydrophobicContact CD2-CZ 4.5Å; F312-F393 AromaticContact CE2-CD1 3.85Å; F312-F393 HydrophobicContact CE2-CD1 3.85Å; F312-F393 AromaticContact CE2-CE1 3.43Å; F312-F393 HydrophobicContact CE2-CE1 3.43Å; F312-F393 VanDerWaalsContact CE2-CE1 3.43Å; F312-F393 HydrophobicContact CZ-CD1 4.3Å; F312-F393 HydrophobicContact CZ-CE1 4.2Å; Q315-F393 HydrophobicContact CB-CE2 4.13Å; Q315-F393 HydrophobicContact CB-CZ 4.04Å; Q315-F393 HydrophobicContact CG-CE2 3.95Å; Q315-F393 HydrophobicContact CG-CZ 4.17Å; L316-F393 HydrophobicContact CB-CD2 4.45Å; L316-F393 HydrophobicContact CB-CE1 4.5Å; L316-F393 HydrophobicContact CB-CE2 4.39Å; L316-F393 HydrophobicContact CB-CZ 4.41Å; L316-F393 HydrophobicContact CD1-CB 3.57Å; L316-F393 HydrophobicContact CD1-CD1 4Å; L316-F393 HydrophobicContact CD1-CD2 3.99Å; L316-F393 HydrophobicContact CD1-CG 3.57Å; F319-F393 HydrophobicContact CB-CD2 3.8Å; F319-F393 HydrophobicContact CB-CE2 4.19Å; F319-F393 HydrophobicContact CD1-CB 3.9Å; F319-F393 AromaticContact CD1-CD2 3.8Å; F319-F393 HydrophobicContact CD1-CD2 3.8Å; F319-F393 HydrophobicContact CD1-CG 4.35Å; F319-F393 HydrophobicContact CD2-CD2 4.41Å; F319-F393 HydrophobicContact CE1-CB 3.98Å; F319-F393 HydrophobicContact CE1-CD2 4.5Å; F319-F393 AromaticContact CG-CD2 3.75Å; F319-F393 HydrophobicContact CG-CD2 3.75Å; L390-F393 CarbonylContact O-C 3.48Å; L390-F393 WeakPolarHBondContact O-CA 3.4Å; L390-F393 WeakPolarHBondContact O-CB 3.37Å; L390-F393 PolarHBondContact O-N 3.16Å; Y391-F393 PolarHBondContact O-N 2.7Å; F393-E395 VanDerWaalsContact C-N 3.32Å; F393-E395 PolarHBondContact O-N 3.11Å; F393-Y396 HydrophobicContact CD2-CD1 4.16Å; F393-Y396 HydrophobicContact CE2-CD1 4.09Å; F393-Y396 WeakPolarHBondContact O-CB 3.4Å; F393-Y396 PolarHBondContact O-N 2.84Å; F393-C397 WeakPolarHBondContact CE1-SG 3.37Å; F393-C397 VanDerWaalsContact CZ-SG 3.6Å; F393-C397 PolarHBondContact O-N 3.21Å; F393-C397 PolarHBondContact O-SG 2.99Å; F393-F404 AromaticContact CE1-CE2 3.95Å; F393-F404 HydrophobicContact CE1-CE2 3.95Å; F393-F404 HydrophobicContact CE1-CZ 4.26Å; F393-F404 HydrophobicContact CZ-CE2 4.12Å; F393-F404 HydrophobicContact CZ-CZ 4.06Å
394E88.4Confident85.2Confident10 Ų1039.2 Ų39.25%0.04719%0.188CC..Hα-helixtrans-56.5-48.1170.1-171.3-174.7151.200110.5F344 G352 F353 Y386 L390 Y391 Y396 C397 R398F344-E394 HydrophobicContact CE2-CB 3.94Å; F344-E394 HydrophobicContact CE2-CG 4.1Å; G352-E394 WeakPolarHBondContact CA-OE1 3.45Å; F353-E394 WeakPolarHBondContact CB-OE2 3.48Å; F353-E394 PolarHBondContact N-OE1 2.83Å; F353-E394 PolarHBondContact N-OE2 2.88Å; Y386-E394 WeakPolarHBondContact CE1-OE2 3.3Å; Y386-E394 VanDerWaalsContact CZ-OE2 3.24Å; Y386-E394 PolarHBondContact OH-OE2 3.18Å; L390-E394 PolarHBondContact O-N 2.96Å; Y391-E394 WeakPolarHBondContact O-CB 3.4Å; Y391-E394 PolarHBondContact O-N 3.42Å; E394-Y396 VanDerWaalsContact C-N 3.34Å; E394-Y396 PolarHBondContact O-N 2.85Å; E394-C397 PolarHBondContact O-N 3.44Å; E394-R398 VanDerWaalsContact O-CB 3.24Å; E394-R398 WeakPolarHBondContact O-CB 3.35Å; E394-R398 PolarHBondContact O-N 3.1Å; E394-R398 IonicContact OE1-CZ 3.52Å; E394-R398 IonicContact OE1-NH2 2.66Å; E394-R398 PolarHBondContact OE1-NH2 3.17Å
395E85.1Confident84.1Confident23 Ų2342.7 Ų42.711%0.10720%0.199CC..Hα-helixtrans-66.6-34.9178-170.954.3-147.300112.3C198 D200 Y391 F393 R398 S399C198-E395 HydrophobicContact CB-CG 3.97Å; C198-E395 WeakPolarHBondContact CB-OE1 3.28Å; C198-E395 PolarHBondContact SG-OE1 3.44Å; D200-E395 HydrophobicContact CB-CG 4.28Å; Y391-E395 PolarHBondContact O-N 3.4Å; F393-E395 VanDerWaalsContact C-N 3.32Å; F393-E395 PolarHBondContact O-N 3.11Å; E395-R398 WeakPolarHBondContact OE2-CD 3.29Å; E395-R398 IonicContact OE2-CZ 3.62Å; E395-R398 IonicContact OE2-NE 2.7Å; E395-R398 IonicContact OE2-NH1 2.7Å; E395-R398 PolarHBondContact OE2-NH1 2.67Å; E395-S399 VanDerWaalsContact O-CB 3.26Å; E395-S399 WeakPolarHBondContact O-CB 3.19Å; E395-S399 PolarHBondContact O-N 2.8Å; E395-S399 PolarHBondContact O-OG 3.23Å
396Y84.8Confident83.1Confident0 Ų043.2 Ų43.20%020%0.2CC..Hα-helixtrans-63.3-46.8169.6172.7-110.1000112V197 C201 R215 F222 W265 F319 G392 F393 E394 S399 A400 I402V197-Y396 HydrophobicContact CB-CD2 4.41Å; V197-Y396 HydrophobicContact CG1-CD2 3.78Å; V197-Y396 HydrophobicContact CG1-CE2 3.63Å; C201-Y396 WeakPolarHBondContact SG-CA 3.47Å; R215-Y396 PolarHBondContact NH1-OH 2.74Å; F222-Y396 HydrophobicContact CE1-CD2 4.39Å; F222-Y396 HydrophobicContact CE1-CE2 4.41Å; W265-Y396 WeakPolarHBondContact CZ3-OH 3.4Å; F319-Y396 HydrophobicContact CD2-CD1 4.08Å; F319-Y396 HydrophobicContact CD2-CG 4.01Å; F319-Y396 HydrophobicContact CE2-CD1 4.34Å; F319-Y396 HydrophobicContact CE2-CD2 4.27Å; F319-Y396 AromaticContact CE2-CG 3.82Å; F319-Y396 HydrophobicContact CE2-CG 3.82Å; G392-Y396 WeakPolarHBondContact O-CB 3.26Å; G392-Y396 PolarHBondContact O-N 2.86Å; G392-Y396 VanDerWaalsContact O-N 3.09Å; F393-Y396 HydrophobicContact CD2-CD1 4.16Å; F393-Y396 HydrophobicContact CE2-CD1 4.09Å; F393-Y396 WeakPolarHBondContact O-CB 3.4Å; F393-Y396 PolarHBondContact O-N 2.84Å; E394-Y396 VanDerWaalsContact C-N 3.34Å; E394-Y396 PolarHBondContact O-N 2.85Å; Y396-S399 PolarHBondContact O-N 3.32Å; Y396-S399 PolarHBondContact O-OG 2.82Å; Y396-A400 HydrophobicContact CD2-CB 4.47Å; Y396-A400 HydrophobicContact CE2-CB 4.19Å; Y396-A400 WeakPolarHBondContact O-CB 3.21Å; Y396-A400 PolarHBondContact O-N 3.36Å; Y396-I402 HydrophobicContact CE1-CD1 3.96Å
397C86.2Confident81.4Confident7 Ų746.5 Ų46.55%0.04723%0.226CC..Hα-helixtrans-63.4-45.2178.1-69.20000112.1F393 E394 A400 N401 I402F393-C397 WeakPolarHBondContact CE1-SG 3.37Å; F393-C397 VanDerWaalsContact CZ-SG 3.6Å; F393-C397 PolarHBondContact O-N 3.21Å; F393-C397 PolarHBondContact O-SG 2.99Å; E394-C397 PolarHBondContact O-N 3.44Å; C397-A400 PolarHBondContact O-N 2.59Å; C397-N401 PolarHBondContact O-N 3.14Å; C397-I402 HydrophobicContact CB-CB 4.43Å; C397-I402 WeakPolarHBondContact CB-O 3.26Å; C397-I402 PolarHBondContact O-N 3.19Å
398R84.4Confident79.8Confident107 Ų10744 Ų4440%0.40422%0.219SC..Hα-helixtrans-57.4-50.6175.6-172.6-171.8-63.4172.2-10.4111.2D354 E394 E395D354-R398 IonicContact OD2-CZ 2.72Å; D354-R398 VanDerWaalsContact OD2-CZ 3.29Å; D354-R398 IonicContact OD2-NH1 3.29Å; D354-R398 PolarHBondContact OD2-NH1 3.46Å; D354-R398 IonicContact OD2-NH2 2.7Å; D354-R398 PolarHBondContact OD2-NH2 3.38Å; E394-R398 VanDerWaalsContact O-CB 3.24Å; E394-R398 WeakPolarHBondContact O-CB 3.35Å; E394-R398 PolarHBondContact O-N 3.1Å; E394-R398 IonicContact OE1-CZ 3.52Å; E394-R398 IonicContact OE1-NH2 2.66Å; E394-R398 PolarHBondContact OE1-NH2 3.17Å; E395-R398 WeakPolarHBondContact OE2-CD 3.29Å; E395-R398 IonicContact OE2-CZ 3.62Å; E395-R398 IonicContact OE2-NE 2.7Å; E395-R398 IonicContact OE2-NH1 2.7Å; E395-R398 PolarHBondContact OE2-NH1 2.67Å
399S81.8Confident77.8Confident6 Ų641.9 Ų41.94%0.04222%0.218CC..Hα-helixtrans-79.6-14.1-179.564.90000114.8L173 G174 C198 E395 Y396L173-S399 CarbonylContact C-O 3.58Å; G174-S399 WeakPolarHBondContact CA-O 3.22Å; G174-S399 PolarHBondContact N-O 3.17Å; C198-S399 WeakPolarHBondContact CB-OG 3.4Å; C198-S399 PolarHBondContact N-OG 3.15Å; E395-S399 VanDerWaalsContact O-CB 3.26Å; E395-S399 WeakPolarHBondContact O-CB 3.19Å; E395-S399 PolarHBondContact O-N 2.8Å; E395-S399 PolarHBondContact O-OG 3.23Å; Y396-S399 PolarHBondContact O-N 3.32Å; Y396-S399 PolarHBondContact O-OG 2.82Å
400A80Confident75.8Confident0 Ų048.7 Ų48.70%025%0.252CS..Hα-helixtrans-95.4-7.7174.300000113.8L195 R259 Y396 C397 I402L195-A400 HydrophobicContact CD2-CB 3.9Å; R259-A400 PolarHBondContact NH1-O 3.15Å; Y396-A400 HydrophobicContact CD2-CB 4.47Å; Y396-A400 HydrophobicContact CE2-CB 4.19Å; Y396-A400 WeakPolarHBondContact O-CB 3.21Å; Y396-A400 PolarHBondContact O-N 3.36Å; C397-A400 PolarHBondContact O-N 2.59Å; A400-I402 HydrophobicContact CB-CD1 3.59Å; A400-I402 HydrophobicContact CB-CG1 3.67Å
401N78.2Confident73.5Confident82 Ų8257.7 Ų57.744%0.43929%0.291SS..THydrogen-bonded Turntrans49.555.6-164.9-56.794.6000111.7C397C397-N401 PolarHBondContact O-N 3.14Å
402I81.7Confident71.1Confident8 Ų861 Ų614%0.04132%0.316CS..  trans-108.6106.6174.4-62174.6000107.7F255 I261 Y396 C397 A400 F404F255-I402 HydrophobicContact CE2-CD1 4.1Å; F255-I402 HydrophobicContact CE2-CG1 4.12Å; F255-I402 HydrophobicContact CZ-CD1 4.26Å; F255-I402 HydrophobicContact CZ-CG1 4.07Å; I261-I402 HydrophobicContact CD1-CG2 4.02Å; I261-I402 HydrophobicContact CG1-CD1 4.4Å; Y396-I402 HydrophobicContact CE1-CD1 3.96Å; C397-I402 HydrophobicContact CB-CB 4.43Å; C397-I402 WeakPolarHBondContact CB-O 3.26Å; C397-I402 PolarHBondContact O-N 3.19Å; A400-I402 HydrophobicContact CB-CD1 3.59Å; A400-I402 HydrophobicContact CB-CG1 3.67Å; I402-F404 HydrophobicContact CG2-CE2 4.12Å; I402-F404 HydrophobicContact CG2-CZ 4.18Å
403D74.4Confident68.7Low146 Ų14668.8 Ų68.878%0.78136%0.356SS*.  trans-98.4144.2177.4-62.6-45.1000110.7
404F74.7Confident66.1Low21 Ų2175.2 Ų75.29%0.09239%0.391CS..  trans-117.6138.1171.3-62.6-85.3000110.1E308 F312 F344 F393 I402 M406E308-F404 HydrophobicContact CG-CD1 4.04Å; E308-F404 WeakPolarHBondContact OE1-CA 3.22Å; F312-F404 HydrophobicContact CB-CD1 4.25Å; F312-F404 HydrophobicContact CB-CE1 3.95Å; F312-F404 HydrophobicContact CB-CZ 4.25Å; F312-F404 HydrophobicContact CD2-CD2 4.08Å; F312-F404 HydrophobicContact CD2-CE1 4.36Å; F312-F404 AromaticContact CD2-CE2 3.8Å; F312-F404 HydrophobicContact CD2-CE2 3.8Å; F312-F404 HydrophobicContact CD2-CG 4.46Å; F312-F404 AromaticContact CD2-CZ 3.95Å; F312-F404 HydrophobicContact CD2-CZ 3.95Å; F312-F404 HydrophobicContact CE2-CE2 4.49Å; F344-F404 HydrophobicContact CE1-CD2 4.36Å; F393-F404 AromaticContact CE1-CE2 3.95Å; F393-F404 HydrophobicContact CE1-CE2 3.95Å; F393-F404 HydrophobicContact CE1-CZ 4.26Å; F393-F404 HydrophobicContact CZ-CE2 4.12Å; F393-F404 HydrophobicContact CZ-CZ 4.06Å; I402-F404 HydrophobicContact CG2-CE2 4.12Å; I402-F404 HydrophobicContact CG2-CZ 4.18Å; F404-M406 HydrophobicContact CB-CE 4.11Å; F404-M406 HydrophobicContact CB-CG 3.9Å; F404-M406 HydrophobicContact CB-SD 4.4Å; F404-M406 WeakPolarHBondContact O-CE 3.13Å; F404-M406 PolarHBondContact O-N 3.27Å
405Q67.5Low63.4Low124 Ų12484 Ų8458%0.57943%0.429SS*.  trans-76.559.6178.5-169.5172.4-18.300112.4E308 A407E308-Q405 PolarHBondContact OE1-N 2.98Å; E308-Q405 VanDerWaalsContact OE2-CA 3.24Å; E308-Q405 WeakPolarHBondContact OE2-CA 3.34Å; E308-Q405 VanDerWaalsContact OE2-CB 3.3Å; E308-Q405 WeakPolarHBondContact OE2-CB 3.43Å; E308-Q405 PolarHBondContact OE2-N 2.65Å; E308-Q405 VanDerWaalsContact OE2-N 3.08Å; E308-Q405 VanDerWaalsContact OE2-O 3.14Å; Q405-A407 PolarHBondContact O-N 3.5Å
406M68.6Low60.9Low24 Ų2488.8 Ų88.812%0.11846%0.461CS..  trans-70.88.3-178.8-62.9172.4-83.100115.3F341 F344 R345 H348 F404 L408F341-M406 HydrophobicContact CE2-CG 4.22Å; F341-M406 HydrophobicContact CZ-CG 4.46Å; F344-M406 HydrophobicContact CD1-CE 4.31Å; F344-M406 HydrophobicContact CD1-SD 3.33Å; F344-M406 WeakPolarHBondContact CD1-SD 3.08Å; F344-M406 HydrophobicContact CE1-CE 3.75Å; F344-M406 HydrophobicContact CE1-SD 3.39Å; F344-M406 WeakPolarHBondContact CE1-SD 3.44Å; R345-M406 HydrophobicContact CB-CB 4.48Å; R345-M406 WeakPolarHBondContact CD-O 3.13Å; R345-M406 HydrophobicContact CG-CB 4.18Å; H348-M406 HydrophobicContact CB-CE 4.05Å; H348-M406 HydrophobicContact CB-SD 4.19Å; H348-M406 VanDerWaalsContact CG-CE 3.42Å; H348-M406 WeakPolarHBondContact ND1-CE 3.46Å; F404-M406 HydrophobicContact CB-CE 4.11Å; F404-M406 HydrophobicContact CB-CG 3.9Å; F404-M406 HydrophobicContact CB-SD 4.4Å; F404-M406 WeakPolarHBondContact O-CE 3.13Å; F404-M406 PolarHBondContact O-N 3.27Å; M406-L408 PolarHBondContact O-N 3.3Å
407A57.4Low58.1Low68 Ų6895.1 Ų95.156%0.56250%0.504SS*.PPolyproline II helixtrans-79119-175.900000111.6Q405Q405-A407 PolarHBondContact O-N 3.5Å
408L56.3Low55.3Low77 Ų77103.6 Ų103.640%0.40354%0.541SS..PPolyproline II helixtrans-63.1133167.5-70.4169.4000109.9P304 M406 E410P304-L408 HydrophobicContact CG-CD2 3.79Å; M406-L408 PolarHBondContact O-N 3.3Å; L408-E410 PolarHBondContact O-N 3.28Å
409P45.6Very low52.5Low85 Ų85105.7 Ų105.755%0.55256%0.56SS**PPolyproline II helixtrans-54.2127.4168.4-26.234.4000110.7P304 K411P304-P409 VanDerWaalsContact CB-CD 3.48Å; P304-P409 HydrophobicContact CB-CG 3.86Å; P304-P409 VanDerWaalsContact CG-CD 3.4Å; P304-P409 HydrophobicContact CG-CG 4.33Å; P409-K411 PolarHBondContact O-N 3.28Å
410E44.1Very low49.9Very low184 Ų184111.8 Ų111.886%0.8660%0.601SS**  trans-67.7107.7-176.2-163.9168.8-141.500109.9L408 V412L408-E410 PolarHBondContact O-N 3.28Å; E410-V412 PolarHBondContact O-N 3.08Å
411K41.7Very low47.4Very low188 Ų188119.7 Ų119.782%0.81764%0.638SS**  trans-64.6100.3177.9-79.9179.8178.6169.90109.3P409 L413P409-K411 PolarHBondContact O-N 3.28Å; K411-L413 PolarHBondContact O-N 3.09Å
412V39.8Very low44.9Very low118 Ų118121.8 Ų121.872%0.71565%0.649SS**  trans-63.793.6176.4-1720000110.3E410 N414E410-V412 PolarHBondContact O-N 3.08Å; V412-N414 VanDerWaalsContact C-N 3.27Å; V412-N414 HydrophobicContact CG1-CB 4.37Å; V412-N414 PolarHBondContact O-N 3.43Å
413L34.8Very low42.3Very low166 Ų166131.3 Ų131.387%0.86969%0.69SS**  trans-76.677.3175-174.263.8000111K411K411-L413 PolarHBondContact O-N 3.09Å
414N32.4Very low40Very low136 Ų136132.8 Ų132.873%0.72769%0.692SS**  trans-104.7104.1168.8-88.2-26.8000110.8V412V412-N414 VanDerWaalsContact C-N 3.27Å; V412-N414 HydrophobicContact CG1-CB 4.37Å; V412-N414 PolarHBondContact O-N 3.43Å
415K32.5Very low37.7Very low195 Ų195137.3 Ų137.385%0.84872%0.721SS**  trans-135.9115.3156-82.5-172.8178.1174.40109.4
416P31.1Very low35.7Very low122 Ų122140.5 Ų140.579%0.79273%0.733SS**PPolyproline II helixtrans-82.7136.4176.232.2-32.4000111.2
417C26.5Very low33.7Very low134 Ų134145.7 Ų145.791%0.90577%0.766SS**PPolyproline II helixtrans-76.9147.6160.5-81.30000110.4
418K28.8Very low32.2Very low185 Ų185150 Ų15080%0.80477%0.772SS**PPolyproline II helixtrans-96.5164.8173.1-75.8-177.4174.1-1800111.1
419D25.1Very low30.8Very low151 Ų151155.9 Ų155.981%0.80780%0.797SS**  trans70.9124.8-179.3-49.8-49000113
420C27.4Very low29.9Very low134 Ų134158.1 Ų158.191%0.90580%0.801SS**  cis-135.9168.345.1-56.50000115.2
421E27.3Very low29Very low165 Ų165153.7 Ų153.777%0.77179%0.79SS**  trans-82.4145.4-169.2-79.9-174.394.200118.5
422N24.4Very low28.3Very low126 Ų126153.1 Ų153.167%0.67479%0.79SS**  trans57.7113.3136.6-56.9-23.8000122.4
423K28.2Very low27.5Very low208 Ų208153.7 Ų153.790%0.90479%0.794SS**  -165.4146.597.7-100.1163.5-174.7173.40113.5
424E25.2Very low27.2Very low178 Ų178154.7 Ų154.783%0.83279%0.794SS**  trans-70.6172.9-172-58.9164.690.600113.4
425V27.8Very low27.2Very low116 Ų116156.4 Ų156.470%0.70380%0.802SS**  -171.2135.559.9167.30000113.3
426K24.8Very low26.9Very low191 Ų191156.1 Ų156.183%0.8380%0.801SS**  trans67.3152.5154.4-88.9176.1174.2179.80120.9
427V27Very low26.7Very low132 Ų132159 Ų15980%0.880%0.803SS**  cis-133.5156.31.1-168.30000110.1
428K25.6Very low26.7Very low158 Ų158159.3 Ų159.369%0.68780%0.801SS**  trans-70.3159.6170.3-59177.4163.6-160.80114.3E430K428-E430 WeakPolarHBondContact CD-OE1 3.34Å; K428-E430 WeakPolarHBondContact CE-OE1 3.43Å; K428-E430 IonicContact NZ-OE1 2.64Å; K428-E430 PolarHBondContact NZ-OE1 2.86Å
429E25.9Very low26.5Very low201 Ų201157 Ų15794%0.93980%0.797SS**  -148.1157.3126.6-151.3158.1-160.400110.3
430E27.5Very low26.6Very low133 Ų133156 Ų15662%0.62180%0.796SS**  trans-120.4132.7-154.4-69.7176.2159.400115.1K428K428-E430 WeakPolarHBondContact CD-OE1 3.34Å; K428-E430 WeakPolarHBondContact CE-OE1 3.43Å; K428-E430 IonicContact NZ-OE1 2.64Å; K428-E430 PolarHBondContact NZ-OE1 2.86Å
431S25.1Very low26.6Very low91 Ų91157.6 Ų157.664%0.63679%0.79SS**  trans32.1131140.860.40000124.4
432E27.1Very low26.5Very low175 Ų175155.8 Ų155.882%0.81879%0.786SS**  trans67.6150.3134-60.4176.5112.300119.5
433T23.6Very low26.5Very low131 Ų131153.7 Ų153.780%0.80478%0.781SS**  cis-155.9163.939.225.40000112.7
434E27.5Very low26.4Very low187 Ų187152.1 Ų152.187%0.87478%0.775SS**  trans-76.4155.2169.9-56.4172.3107.100113.9
435I32.2Very low26.4Very low172 Ų172150.1 Ų150.188%0.88277%0.769SS**  trans-139.5146.6155.3-56.7-177.9000110.4
436K27.5Very low26.3Very low189 Ų189149.8 Ų149.882%0.82277%0.768SS**  trans-86.3161.5-169.5-63.8177.8177.2-177.40116.2
437E26.8Very low26.5Very low181 Ų181148.5 Ų148.585%0.84677%0.766SS**  trans-8.2138.9156.7-53.5173.7137.900120.2
438V25.2Very low26.9Very low141 Ų141146.6 Ų146.686%0.85576%0.757SS**  trans-141.5133.9135.1178.10000109.2V440V438-V440 HydrophobicContact CG1-CG2 4.5Å
439N25.7Very low26.8Very low137 Ų137147.3 Ų147.373%0.73376%0.76SS**  trans-106.7134174.9177.124.6000110.4
440V27.5Very low26.7Very low129 Ų129146.8 Ų146.878%0.78276%0.758SS**  trans-148.9126162179.70000110.3V438V438-V440 HydrophobicContact CG1-CG2 4.5Å
441E25.7Very low26.6Very low168 Ų168147.4 Ų147.479%0.78576%0.76SS**  trans-79.3156.6172.4-57.5169.2123.700112.3
442D26.7Very low26.6Very low127 Ų127149.1 Ų149.168%0.67977%0.767SS**  159.5129.5106.8-171.7-123.5000114
443S23.5Very low26.8Very low82 Ų82146.1 Ų146.157%0.57376%0.763SS**  trans50.7142.9149.2-69.40000123.6
444K27.4Very low26.9Very low176 Ų176143.8 Ų143.877%0.76576%0.757SS**  trans164.542.2163.6-42.6128.7-170.9159.60120.6
445N24.1Very low26.8Very low135 Ų135144 Ų14472%0.72276%0.758SS**  trans60.4124.1147.6-113.323000122.4
446V26.5Very low26.5Very low110 Ų110143.5 Ų143.567%0.66776%0.757SS**  47.5131.3110.4169.60000118.5
447M28.3Very low26.5Very low163 Ų163142.4 Ų142.480%0.80376%0.755SS**  cis-172.8-145.91.2-157.3176.460.300108.8
448P35.2Very low26.7Very low92 Ų92138.9 Ų138.960%0.59775%0.75SS**  -130.2-176.5-114.448.5-33.1000118.7
449K24.1Very low26.9Very low174 Ų174138.7 Ų138.776%0.75774%0.74SS**  trans65129.7144.9-81.4-179.7176.5-152.70122.6
450E24.1Very low27Very low190 Ų190143.3 Ų143.389%0.88875%0.747SS**  169.6116.7119.5-91.3-179.6158.300106.8
451E24.9Very low27.1Very low146 Ų146145.6 Ų145.668%0.68275%0.747SS**  90.5105.257.2-92.3-173.7-140.900117
452T23.9Very low27.3Very low126 Ų126145.9 Ų145.977%0.77375%0.748SS**  trans73.1169.3151.475.80000119.7
453P32.3Very low27.2Very low113 Ų113145.9 Ų145.973%0.73475%0.748SS**  cis-134.9178.3-7.526.1-2.3000117.1
454A25.4Very low27.5Very low82 Ų82149.5 Ų149.568%0.67876%0.759SS**  trans61.4125.9149.200000120.4
455E26Very low27.7Very low191 Ų191150.3 Ų150.389%0.89376%0.763SS**  71.1116.258.5-67-177.3168.900114.8
456D26.3Very low28.4Very low161 Ų161149.3 Ų149.386%0.86176%0.764SS**  179.4169.596.8-155.2-3.4000112
457E27.7Very low28.2Very low166 Ų166149.1 Ų149.178%0.77677%0.767SS**  trans-97.4171.2-163-57.3-158.6130.600117.5
458S29.2Very low28.2Very low108 Ų108150 Ų15076%0.75577%0.774SS**  147.9130.910360.30000118.3
459E29.4Very low27.6Very low136 Ų136149.3 Ų149.364%0.63678%0.783SS**  trans24.6140.9149.8-54-160.711800124.9
460R28.8Very low27.7Very low235 Ų235146.4 Ų146.489%0.88779%0.785SS**  -175.3172.198.3-95.6174.4-172.6-164.63115.2
461K29.7Very low27.9Very low177 Ų177146.7 Ų146.777%0.7778%0.783SS**  trans-107.9-178.6-151-59.3175.6179.2172.90115.7
462E29.7Very low28Very low174 Ų174149.3 Ų149.381%0.81379%0.792SS**  trans106.3140.7155.5-65.4-140.811200118.1
463N24.9Very low27.9Very low126 Ų126148.8 Ų148.867%0.67479%0.794SS**  cis-169.8178.1-20.2-151.4-22.4000110
464I30.2Very low27.5Very low159 Ų159150.3 Ų150.382%0.81580%0.795SS**  trans95.3122.8159.2-57.3161000121.1
465K30.2Very low27.5Very low193 Ų193152.7 Ų152.784%0.83980%0.796SS**  trans-102.5179163.1-93.2-178.3178.7176.40109.1
466P39Very low27.4Very low114 Ų114150.9 Ų150.974%0.7479%0.787SS**  cis-160.6-160.735.946.3-21.8000119.4
467S23.9Very low27.3Very low106 Ų106149.2 Ų149.274%0.74179%0.787SS**  trans97.8125.7159.974.80000117.3
468L27.7Very low27.5Very low182 Ų182148 Ų14895%0.95378%0.784SS**  cis80.8121.733.1-78.9166.4000116.6
469G23Very low27.6Very low76 Ų76148.7 Ų148.778%0.78479%0.786SS**  trans140.488.6142.400000119.6
470S25.4Very low27.6Very low114 Ų114146.4 Ų146.480%0.79779%0.79SS**  trans-35.6156.3164.1-36.80000119.5
471K27.9Very low27.5Very low196 Ų196145 Ų14585%0.85279%0.794SS**  177.3121.6121.4-95.7156.2-171.9175.20117.2
472K27.1Very low27.4Very low200 Ų200141 Ų14187%0.8779%0.788SS**  50148.7129-65.8-170.1171.6-169.50124.4
473S22Very low27.2Very low115 Ų115140.2 Ų140.280%0.80479%0.789SS**  trans86.2145.8143.2-167.30000117.8
474L24.6Very low27.4Very low145 Ų145141.1 Ų141.176%0.75979%0.79SS**  cis-175.2165-25.4-167.182.1000107.1
475L25.6Very low27.5Very low133 Ų133140.7 Ų140.770%0.69678%0.784SS**  trans73.895.5163.4-72.2159.3000120.7
476E24.1Very low27.5Very low153 Ų153138.1 Ų138.172%0.71577%0.773SS**  41.1130.593.7-164.3171.6-130.200121.4
477C24Very low27Very low126 Ų126141.5 Ų141.585%0.85178%0.779SS**  -170.1152.7124.4-102.70000114.8
478I31.4Very low27.2Very low140 Ų140141.6 Ų141.672%0.71879%0.786SS**  trans-109166.9-178.8-38.8175.7000108.8
479P32.3Very low26.9Very low123 Ų123141.5 Ų141.580%0.79978%0.781SS**  -140.4138110.633.2-18.5000112.3
480A27.4Very low27.2Very low87 Ų87145.4 Ų145.472%0.71978%0.782SS**  cis103.2120.944.500000112
481Q27.6Very low27.1Very low206 Ų206145.8 Ų145.896%0.96378%0.779SS**  trans-162.9157139.2-110.9173.29.400111
482S27.1Very low27.2Very low93 Ų93144.8 Ų144.865%0.6578%0.775SS**  trans-110.2170-160.851.70000113.2
483D25.7Very low27.1Very low157 Ų157143.8 Ų143.884%0.8478%0.778SS**  -168.1166.5106.7-87.4-6.6000111.5
484E29.7Very low27.4Very low145 Ų145145.9 Ų145.968%0.67878%0.775SS**  trans-135.7170-147.3-164.6-171.214500112K486E484-K486 WeakPolarHBondContact OE1-CE 3.48Å; E484-K486 IonicContact OE1-NZ 2.98Å; E484-K486 PolarHBondContact OE1-NZ 2.87Å
485E31Very low27.7Very low151 Ų151147 Ų14771%0.70678%0.777SS**  trans102.1142.5150.5-56.6-154.1149.600119.9
486K31.4Very low27.7Very low139 Ų139146.9 Ų146.960%0.60478%0.777SS**  cis-163.2173.7-25.2-119.2160.3-159.31550112.1E484E484-K486 WeakPolarHBondContact OE1-CE 3.48Å; E484-K486 IonicContact OE1-NZ 2.98Å; E484-K486 PolarHBondContact OE1-NZ 2.87Å
487E28.4Very low28Very low184 Ų184148.4 Ų148.486%0.8678%0.784SS**  trans-68.6171.9-176.4-51162.3116.300116.5
488A26.8Very low28.1Very low108 Ų108148.8 Ų148.889%0.89378%0.778SS**  trans-155.5149.7132.900000112.9
489H22.9Very low28Very low181 Ų181148.4 Ų148.484%0.83878%0.776SS**  trans-141.7143.9-171.5-167-60.1000110.3
490I28.8Very low27.8Very low158 Ų158150.2 Ų150.281%0.8177%0.774SS**  trans-176.1156.5175.9-105.5146.5000109.2
491T23.9Very low27.9Very low121 Ų121151.7 Ų151.774%0.74277%0.77SS**  cis-163.2159.9-33.7-78.50000107.7
492K29.7Very low28Very low175 Ų175149.8 Ų149.876%0.76176%0.759SS**  trans-73163179-59.4178.2173.1-172.70114.9
493L25Very low28.1Very low180 Ų180153.4 Ų153.494%0.94277%0.77SS**  trans-153.1167.5132.2-13598.3000111.8
494E28.8Very low28.1Very low158 Ų158148.9 Ų148.974%0.73876%0.761SS**  trans-120.6-167.1-167.8-60.8178.7139.500113.2
495E29.8Very low28Very low170 Ų170145.5 Ų145.579%0.79477%0.765SS**  trans87.5143163.1-67.8-148.6106.200119.6
496N26.7Very low27.9Very low130 Ų130150.6 Ų150.670%0.69578%0.778SS**  cis-168-173.9-22.5-146-23.9000110.2
497E28.8Very low27.8Very low184 Ų184147.9 Ų147.986%0.8678%0.782SS**  trans85.1159.9163.3-50-159.3152.200120.3
498N26Very low27.8Very low135 Ų135149.7 Ų149.772%0.72278%0.78SS**  -168.9168.4-82.4-174.515.7000109.7
499L31.1Very low27.8Very low131 Ų131150.1 Ų150.169%0.68677%0.772SS**  trans68.8154.2168.1-55.2170.2000116.1
500E27.5Very low28.3Very low162 Ų162149 Ų14976%0.75777%0.768SS**  cis-155.2135.8-2.9-114.8159.6-169.500105.7
501D28.6Very low28.3Very low118 Ų118150.8 Ų150.863%0.63177%0.772SS**  92.5133.670.8-161.930.7000115.7
502K30.4Very low28.8Very low166 Ų166149.1 Ų149.172%0.72277%0.771SS**  trans76.3130.5157.3-88176.4-164.677.90126.7
503D28.6Very low28.6Very low168 Ų168150.4 Ų150.490%0.89878%0.777SS**  trans68.6149.7132.9-146.942.1000118.6
504G27.4Very low28.8Very low62 Ų62147 Ų14764%0.63977%0.768SS**  cis-174.1148.2-5.100000105.5
505G26.3Very low28.7Very low75 Ų75146 Ų14677%0.77377%0.773SS**  110121.256.100000110.9
506R28.8Very low28.7Very low258 Ų258146.4 Ų146.497%0.97478%0.775SS**  trans67.8158.8166-102.3172.8162.9169.8-8116.9
507A29Very low28.9Very low82 Ų82145.7 Ų145.768%0.67878%0.775SS**  cis-153.7171.9-0.700000112.7
508R29.2Very low28.8Very low221 Ų221144.6 Ų144.683%0.83478%0.775SS**  trans-17.5154.8149.2-57.3174.6-179.9172.3-5.1115.3
509T27.5Very low29Very low117 Ų117141 Ų14172%0.71877%0.77SS**  -170.6147.166-54.90000111.3
510E33.6Very low28.9Very low159 Ų159143.3 Ų143.374%0.74378%0.777SS**  trans-49.9150.6169.357.5-118.272.600116.2
511E27.7Very low29.1Very low195 Ų195143.6 Ų143.691%0.91178%0.779SS**  trans-160.2153.2137.5-121.9176.1-171.100111.5
512A34.4Very low29.3Very low86 Ų86144.7 Ų144.771%0.71178%0.78SS**  trans-126.9150.2-176.900000110.1
513F25.3Very low29.4Very low201 Ų201144 Ų14488%0.88278%0.78SS**  trans-150.9136.3155.8-112.9-78.4000111.8
514S29.4Very low29.7Very low108 Ų108140 Ų14076%0.75577%0.769SS**  trans-101.9152.2168.9-54.50000109.2
515T27.1Very low30Very low139 Ų139148.2 Ų148.285%0.85378%0.781SS**  trans-148133.6157.6-44.10000109.4
516E29Very low30.3Very low177 Ų177150.3 Ų150.383%0.82778%0.784SS**  trans-91.1-178.8-178.7-61.5166.810000111.6
517V31.5Very low30.3Very low115 Ų115141.5 Ų141.570%0.69777%0.773SS**  132.8129129.4178.60000115.4
518D27.6Very low30.5Very low161 Ų161144.8 Ų144.886%0.86178%0.779SS**  trans58.5150.5161.7-66.6-33000121.3
519G29Very low30.9Very low61 Ų61141.7 Ų141.763%0.62978%0.775SS**  cis158.4145.6-6.300000113.4
520E29.8Very low31.2Very low178 Ų178140.5 Ų140.583%0.83277%0.767SS**  trans67.1121.9159.8-60.5-177.5148.500118.2
521E31.5Very low31.2Very low169 Ų169139.4 Ų139.479%0.7977%0.767SS**  68.9142.594.9-65.7-164.3164.700114.4
522E33.1Very low31.6Very low140 Ų140136.9 Ų136.965%0.65475%0.752SS**  cis-153.3160.420.5-105-130.5129.500114.4
523Q32.6Very low31.6Very low153 Ų153138.4 Ų138.472%0.71575%0.745SS**  trans26.6120.3141.8-64-162.74700125.9
524A33.7Very low32.2Very low82 Ų82136.2 Ų136.268%0.67874%0.737SS**  81.7140.6109.700000125.9
525R33.9Very low32.7Very low235 Ų235136.8 Ų136.889%0.88773%0.732SS**  trans87.6123.5138.1-90.8-179178.7-159.40.1123.6
526S32.4Very low33.5Very low119 Ų119137.6 Ų137.683%0.83273%0.726SS**  96.6150.2123.172.60000121.9
527G29.6Very low34.1Very low73 Ų73135.3 Ų135.375%0.75372%0.72SS**  trans88.2100.5172.400000113.3
528D33.2Very low34.6Very low151 Ų151136.2 Ų136.281%0.80772%0.721SS**  cis81.3137.327.8-153.5-154.8000115.6
529E36.2Very low35.8Very low157 Ų157137.1 Ų137.173%0.73472%0.719SS**  trans65.6148171.8-54.6-145.9123.200118.9
530T35.1Very low36.5Very low91 Ų91147.3 Ų147.356%0.55875%0.751SS**  cis-167.5161.4-20.534.20000108.7
531N32.7Very low36.8Very low137 Ų137145.8 Ų145.873%0.73375%0.747SS**  trans65158.5150.1-66.2-30.1000116.9
532K36.5Very low37.1Very low141 Ų141144.6 Ų144.661%0.61375%0.745SS**  cis-164.3156.8-4.6-128.2173.9158.1-126.90107.7
533E34.5Very low37.3Very low118 Ų118144.8 Ų144.855%0.55175%0.75SS**  trans67.3128.7144.8-76.9160.6-171.700117.1
534E38.1Very low37.6Very low155 Ų155144.4 Ų144.472%0.72475%0.752SS**  62.7128.281.8-63.9167.9-164.900110
535D39.5Very low37.9Very low120 Ų120148.3 Ų148.364%0.64276%0.756SS**  cis-161172.614-112.2-25.7000111.4
536E43.2Very low38.1Very low156 Ų156142.5 Ų142.573%0.72975%0.748SS**  trans51.7129.3141.1-67.7176.7162.200122.9
537D42.1Very low38.5Very low130 Ų130144.1 Ų144.170%0.69574%0.742SS**  trans88.2134.8130.4-64.4-3.4000124.9
538D42.9Very low39.2Very low134 Ų134149.6 Ų149.672%0.71774%0.741SS**  trans67.7115.8145-65.2-10.8000123.5
539E51.4Low39.7Very low179 Ų179149.5 Ų149.584%0.83674%0.735SS**  39.9110.6127.5-55.6-167.1162.400119.9
540E44.7Very low40.1Very low276 Ų276148.8 Ų148.8100%1.2974%0.735SS**  -156.7096.1-102.9-173155.700111.5

Retrieved 540 of 540 residues in 345.3 ms (Link to these results)

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